2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid

C17H17ClN2O3 — CID 3810031

IUPAC2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H17ClN2O3/c1-11-7-8-13(18)10-14(11)19-17(23)20-15(16(21)22)9-12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyGUZKGZPWZPALEP-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.47
Rot. Bonds5

About 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid

2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 3810031) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID3810031
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H17ClN2O3/c1-11-7-8-13(18)10-14(11)19-17(23)20-15(16(21)22)9-12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyGUZKGZPWZPALEP-UHFFFAOYSA-N
XLogP3.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
2-[(3,5-dichlorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4032418
(2S)-2-[(4-bromo-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 71569333
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084041
methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate
CID 3720854
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4551289
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311
benzyl [4-[(2R)-3-(5-chloro-2-methylanilino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] carbonate
CID 126005918
(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid
CID 119367488

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid (CID 3810031) is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid is Cc1ccc(Cl)cc1NC(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is GUZKGZPWZPALEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-7-8-13(18)10-14(11)19-17(23)20-15(16(21)22)9-12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid?
2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 332.79 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 3810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).