2-Benzamidobutanoic acid
Basic information
- CAS
4385-97-1- Standard SMILES
CCC(NC(=O)c1ccccc1)C(=O)O- InChIKey
OACIMSFRSUBGQU-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 2-Benzamidobutanoic acid
- IUPAC
- 2-benzamidobutanoic acid
Names & synonyms
2-benzamidobutanoic acid2-(phenylformamido)butanoic acid4385-97-12-(Benzoylamino)butanoic acidNSC11758Benzoylaminobuttersaure5468-52-0Oprea1_218282Butanoic acid, 2-benzamido-SCHEMBL1427713Butanoic acid, 2-benzoylamino-SCHEMBL11063949
Show more names
2-(Benzoylamino)butanoic acid #OACIMSFRSUBGQU-UHFFFAOYSA-NMDA06875NSC-11758NSC173194AKOS008986002NSC-173194DS-012975
Database identifiers
- CAS
4385-97-1、5468-52-0- PubChem CID
- 223791
- Nikkaji
- J1.378.066H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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