3-Amino-2-cycloheptylidene-3-oxopropanoic acid
Basic information
- CAS
6966-52-5- Standard SMILES
NC(=O)C(C(=O)O)=C1CCCCCC1- InChIKey
OSIPFTDAQQOBLG-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 3-Amino-2-cycloheptylidene-3-oxopropanoic acid
- IUPAC
- 3-amino-2-cycloheptylidene-3-oxopropanoic acid
Names & synonyms
6966-52-53-amino-2-cycloheptylidene-3-oxopropanoic acid.DELTA.1,.alpha.-Cycloheptanemalonamic acidDTXSID80280883NSC18980NSC-18980
Database identifiers
- CAS
6966-52-5- PubChem CID
- 227410
- DTXSID
DTXSID80280883
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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