2-Acetamidoheptanoic acid
Basic information
- CAS
5440-34-6- Standard SMILES
CCCCCC(NC(C)=O)C(=O)O- InChIKey
JQNINXWVTUYYQS-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- 2-Acetamidoheptanoic acid
- IUPAC
- 2-acetamidoheptanoic acid
- English name
- 2-acetamidoheptanoic acid
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
2-acetamidoheptanoic acid5440-34-6Heptanoic acid,2-(acetylamino)-NSC201502-acetamidoheptanoicacidSCHEMBL6464987DTXSID70281107NSC 20150NSC-20150AKOS013015057DS-011163EN300-1300875
Show more names
N-Ac-RS-2-amino-Heptanoic acidHeptanoic acid, 2-(acetylamino)-
Database identifiers
- CAS
5440-34-6- PubChem CID
- 227941
- DTXSID
DTXSID70281107- Nikkaji
- J2.019.657B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
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Compound notes
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