Basic information
- Standard SMILES
CC(C)C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)CC1- InChIKey
OELFLUMRDSZNSF-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.19909372
Overview
2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid is a phenylalanine derivative.
Names & identifiers
- Preferred name
- 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid
- IUPAC
- 3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
Names & synonyms
491828-09-23-phenyl-2-{[4-(propan-2-yl)cyclohexyl]formamido}propanoic acid3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acidrac-3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid2439090-62-52-{[4-(methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid(2S)-3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acidNCGC00095121-01SCHEMBL3182738SCHEMBL14199702DTXSID30861181CHEBI:181175
Show more names
HMS3369I11HMS3393G20HMS3656O06HMS3748G13HMS5081K112-[(4-isopropylcyclohexanecarbonyl)amino]-3-phenyl-propanoic acidFEA81605FEA81606
Database identifiers
- PubChem CID
- 4443
- DTXSID
DTXSID30861181- ChEBI
CHEBI:181175
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
DrugsPharmaceuticals
Chemistry & industry
Pharmacology
Metabolism/MetabolitesNateglinide has known human metabolites that include 2-{[4-(2-hydroxypropan-2-yl)cyclohexyl]formamido}-3-phenylpropanoic acid and 2-{[4-(1-hydroxypropan-2-yl)cyclohexyl]formamido}-3-phenylpropanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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