2-[(2-chlorophenyl)carbamoylamino]propanoic acid

C10H11ClN2O3 — CID 3838662

IUPAC2-[(2-chlorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClN2O3/c1-6(9(14)15)12-10(16)13-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,14,15)(H2,12,13,16)
InChIKeyWQFVYGFYMSRCFT-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2-chlorophenyl)carbamoylamino]propanoic acid

2-[(2-chlorophenyl)carbamoylamino]propanoic acid (PubChem CID 3838662) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)carbamoylamino]propanoic acid
PubChem CID3838662
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-[(2-chlorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClN2O3/c1-6(9(14)15)12-10(16)13-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,14,15)(H2,12,13,16)
InChIKeyWQFVYGFYMSRCFT-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)carbamoylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea
CID 61124006
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
1-(2-chlorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376614
3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62674288

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]propanoic acid (CID 3838662) is 2-[(2-chlorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)carbamoylamino]propanoic acid?
The InChIKey is WQFVYGFYMSRCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-6(9(14)15)12-10(16)13-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(2-chlorophenyl)carbamoylamino]propanoic acid?
2-[(2-chlorophenyl)carbamoylamino]propanoic acid has a molecular weight of 242.66 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 3838662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).