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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120045 |
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Identification |
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| Name: |
1-aminocyclopropane-1-carboxylate |
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| Description: | An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 1-aminocyclopropanecarboxylic acid; major species at pH 7.3. |
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Structure |
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| Synonyms: | - 1-aminocyclopropane-1-carboxylate
- 1-ammoniocyclopropanecarboxylate
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Chemical Formula: |
C4H7NO2 |
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| Average Molecular Weight: |
101.105 |
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| Monoisotopic Molecular
Weight: |
102.055504 |
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| InChI Key: |
PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) |
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| CAS
number: |
22059-21-8 |
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| IUPAC Name: | 1-azaniumylcyclopropanecarboxylate |
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Traditional IUPAC Name: |
1-aminocyclopropane-1-carboxylic acid |
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| SMILES: | C([O-])(=O)C1(CC1)[N+] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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| Sub Class | Carboxylic acids and derivatives |
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Direct Parent |
Alpha amino acids |
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| Alternative Parents |
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| Substituents |
- Alpha-amino acid
- 1-aminocyclopropane-1-carboxylic acid or derivatives
- Cyclopropanecarboxylic acid
- Cyclopropanecarboxylic acid or derivatives
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Primary amine
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Amine
- Organic oxygen compound
- Aliphatic homomonocyclic compound
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| Molecular Framework |
Aliphatic homomonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
229 - 231 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | 229 - 231 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | -2.78 | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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