3-[(4-chlorobenzoyl)amino]propanoic acid

C10H10ClNO3 — CID 1235725

IUPAC3-[(4-chlorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKeyZCGLNFAUVVHTQO-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.54
Rot. Bonds4

About 3-[(4-chlorobenzoyl)amino]propanoic acid

3-[(4-chlorobenzoyl)amino]propanoic acid (PubChem CID 1235725) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]propanoic acid
PubChem CID1235725
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name3-[(4-chlorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKeyZCGLNFAUVVHTQO-UHFFFAOYSA-N
XLogP1.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 3-[(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 3-[(4-chlorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]propanoic acid (CID 1235725) is 3-[(4-chlorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]propanoic acid?
The InChIKey is ZCGLNFAUVVHTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14).
What are the key properties of 3-[(4-chlorobenzoyl)amino]propanoic acid?
3-[(4-chlorobenzoyl)amino]propanoic acid has a molecular weight of 227.65 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 1235725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).