2-[(2-aminobenzoyl)amino]propanoic acid

C10H12N2O3 — CID 13442364

IUPAC2-[(2-aminobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccccc1N)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyURJSQVJWZNGFOL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.47
Rot. Bonds3

About 2-[(2-aminobenzoyl)amino]propanoic acid

2-[(2-aminobenzoyl)amino]propanoic acid (PubChem CID 13442364) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(2-aminobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-aminobenzoyl)amino]propanoic acid
PubChem CID13442364
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[(2-aminobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccccc1N)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyURJSQVJWZNGFOL-UHFFFAOYSA-N
XLogP0.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminobenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-aminobenzoyl)amino]propanoic acid (CID 13442364) is 2-[(2-aminobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-aminobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-aminobenzoyl)amino]propanoic acid is CC(NC(=O)c1ccccc1N)C(=O)O.
What is the InChIKey of 2-[(2-aminobenzoyl)amino]propanoic acid?
The InChIKey is URJSQVJWZNGFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-aminobenzoyl)amino]propanoic acid?
2-[(2-aminobenzoyl)amino]propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminobenzoyl)amino]propanoic acid is sourced from PubChem (CID 13442364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).