2-[(4-chlorobenzoyl)amino]propanoic acid

C10H10ClNO3 — CID 2728755

IUPAC2-[(4-chlorobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeySSHYAHPMLSAGGG-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.54
Rot. Bonds3

About 2-[(4-chlorobenzoyl)amino]propanoic acid

2-[(4-chlorobenzoyl)amino]propanoic acid (PubChem CID 2728755) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]propanoic acid
PubChem CID2728755
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-[(4-chlorobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeySSHYAHPMLSAGGG-UHFFFAOYSA-N
XLogP1.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorobenzoyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]propanoic acid (CID 2728755) is 2-[(4-chlorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]propanoic acid is CC(NC(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]propanoic acid?
The InChIKey is SSHYAHPMLSAGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-chlorobenzoyl)amino]propanoic acid?
2-[(4-chlorobenzoyl)amino]propanoic acid has a molecular weight of 227.65 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 2728755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).