2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid

C13H18N2O5 — CID 115413154

IUPAC2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(OC)cc1N)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-19-6-5-11(13(17)18)15-12(16)9-4-3-8(20-2)7-10(9)14/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMHLIXYHAIQGAMX-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.50
Rot. Bonds7

About 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid

2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 115413154) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
PubChem CID115413154
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(OC)cc1N)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-19-6-5-11(13(17)18)15-12(16)9-4-3-8(20-2)7-10(9)14/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMHLIXYHAIQGAMX-UHFFFAOYSA-N
XLogP0.50
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic 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

(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
2-[(2-amino-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 82546323
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
(2R)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104909181
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid (CID 115413154) is 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1ccc(OC)cc1N)C(=O)O.
What is the InChIKey of 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is MHLIXYHAIQGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-6-5-11(13(17)18)15-12(16)9-4-3-8(20-2)7-10(9)14/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid?
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 115413154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).