Basic information
- Standard SMILES
CC(N)C(=O)CCCCCC(=O)O- InChIKey
GUAHPAJOXVYFON-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Overview
8-amino-7-oxononanoic acid is the 8-amino-7-oxo derivative of nonanoic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is an amino acid and a 7-oxo monocarboxylic acid. It is functionally related to a nonanoic acid. It is a conjugate acid of an 8-amino-7-oxononanoate. It is a tautomer of an 8-amino-7-oxononanoic acid zwitterion.
Names & identifiers
- Preferred name
- 7-Keto-8-Aminopelargonic Acid
- IUPAC
- 8-amino-7-oxononanoic acid
- English name
- 7-Keto-8-aminopelargonic acid
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
Show more names
Database identifiers
- CAS
4707-58-8- PubChem CID
- 173
- DTXSID
DTXSID50863440- ChEBI
CHEBI:15830- Nikkaji
- J511.019J
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 357.1 · 357.1±27.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 4.74 · 4.74±0.10(Predicted)
- FDA UNII
- 0 SI1JMK5I · D0SI1JMK5I
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Additional notes
DefinitionChEBI: 8-amino-7-oxononanoic acid is the 8-amino-7-oxo derivative of nonanoic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a 7-oxo monocarboxylic acid and an amino acid. It is functionally related to a nonanoic acid. It is a conjugate acid of an 8-amino-7-oxononanoate. It is a tautomer of an 8-amino-7-oxononanoic acid zwitterion.
Related reactions
No reaction records under the current filter.
Linked notes
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