3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid

C11H14N2O4 — CID 106109026

IUPAC3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cccc(N)c1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-17-9(11(15)16)6-13-10(14)7-3-2-4-8(12)5-7/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyMZWCZBVJCUGKOO-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.10
Rot. Bonds5

About 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid

3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 106109026) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
PubChem CID106109026
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cccc(N)c1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-17-9(11(15)16)6-13-10(14)7-3-2-4-8(12)5-7/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyMZWCZBVJCUGKOO-UHFFFAOYSA-N
XLogP0.10
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic 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

N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-p-dioxin-5-carboxamide
CID 9441134
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-[(3-aminobenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 145988028
5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
CID 2772121
4-(3-Carbamoylanilino)-3-methoxy-4-oxobutanoic acid
CID 118732819
2-(3-Aminobenzamido)acetic acid
CID 14127252
4-{[(3-Aminophenyl)carbonyl]amino}butanoic acid
CID 19734678
Methyl 2-[(5-amino-2-fluorobenzoyl)amino]acetate
CID 21699737
1,3-Benzenedicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-, hydrochloride (1:1)
CID 44629992
(2R)-2-acetyloxy-2-[(2R)-4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 58290615
2-Acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 76742980
3-[3-Fluoro-4-(methylcarbamoyl)anilino]-2,5-dihydrofuran-2-carboxylic acid
CID 90374679
(2R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]-2,5-dihydrofuran-2-carboxylic acid
CID 118619494

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid (CID 106109026) is 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1cccc(N)c1)C(=O)O.
What is the InChIKey of 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is MZWCZBVJCUGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-9(11(15)16)6-13-10(14)7-3-2-4-8(12)5-7/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid?
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).