N-[(3-chlorophenyl)acetyl]aianine 2-methylcyclopentyl Ester
Basic information
- Standard SMILES
CC1CCCC1OC(=O)[C@H](C)NC(=O)Cc1cccc(Cl)c1- InChIKey
YNUZCFGSDYYNNN-AVERBVTBSA-N- Molecular formula
- C17H22ClNO3
- Average molar mass
- 323.8 g/mol
Names & identifiers
- Preferred name
- N-[(3-chlorophenyl)acetyl]aianine 2-methylcyclopentyl Ester
- IUPAC
- (2-methylcyclopentyl) (2S)-2-[[2-(3-chlorophenyl)acetyl]amino]propanoate
Names & synonyms
SCHEMBL4424475YNUZCFGSDYYNNN-AVERBVTBSA-NN-[(3-chlorophenyl)acetyl]aianine 2-methylcyclopentyl EsterN-[(3-chlorophenyl)acetyl]alanine 2-methylcyclopentyl Ester
Database identifiers
- PubChem CID
- 54518082
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
5 records
Compound notes
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