2-[((S)-1-phenyl-propylcarbamoyl)-methyl]benzoic acid
Basic information
- CAS
1075715-64-8- Standard SMILES
CC[C@H](NC(=O)Cc1ccccc1C(=O)O)c1ccccc1- InChIKey
VAZDQVJITMSROQ-INIZCTEOSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Names & identifiers
- Preferred name
- 2-[((S)-1-phenyl-propylcarbamoyl)-methyl]benzoic acid
- IUPAC
- 2-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]benzoic acid
Names & synonyms
2-(2-Oxo-2-{[(1S)-1-phenylpropyl]amino}ethyl)benzoic acid2-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]benzoic acidSCHEMBL13659002-[((S)-1-phenyl-propylcarbamoyl)-methyl]benzoic acidVAZDQVJITMSROQ-INIZCTEOSA-NDTXSID8011955591075715-64-82-[((S)-1-phenyl-propylcarbamoyl)-methyl]-benzoic acid
Database identifiers
- CAS
1075715-64-8- PubChem CID
- 57733251
- DTXSID
DTXSID801195559
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
12 records
Compound notes
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