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

C10H12N2O3 — CID 719629

IUPAC3-[(4-aminobenzoyl)amino]propanoic acid
SMILESNc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)
InChIKeyVHAXWROFYVPXMZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.47
Rot. Bonds4

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

3-[(4-aminobenzoyl)amino]propanoic acid (PubChem CID 719629) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(4-aminobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-aminobenzoyl)amino]propanoic acid
PubChem CID719629
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-[(4-aminobenzoyl)amino]propanoic acid
SMILESNc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)
InChIKeyVHAXWROFYVPXMZ-UHFFFAOYSA-N
XLogP0.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-aminobenzoyl)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-aminobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-aminobenzoyl)amino]propanoic acid (CID 719629) is 3-[(4-aminobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-aminobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-aminobenzoyl)amino]propanoic acid is Nc1ccc(C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[(4-aminobenzoyl)amino]propanoic acid?
The InChIKey is VHAXWROFYVPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14).
What are the key properties of 3-[(4-aminobenzoyl)amino]propanoic acid?
3-[(4-aminobenzoyl)amino]propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminobenzoyl)amino]propanoic acid is sourced from PubChem (CID 719629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).