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

C12H16N2O4 — CID 107207734

IUPAC4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
SMILESCOc1cc(N)ccc1C(=O)NCCCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-10-7-8(13)4-5-9(10)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyFCLORZGRUIFLFN-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.87
Rot. Bonds6

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

4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid (PubChem CID 107207734) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
PubChem CID107207734
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
SMILESCOc1cc(N)ccc1C(=O)NCCCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-10-7-8(13)4-5-9(10)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyFCLORZGRUIFLFN-UHFFFAOYSA-N
XLogP0.87
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
4-[(4,5-dimethoxy-2-methylbenzoyl)amino]butanoic acid
CID 98023407
5-[(2-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 104783294
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid (CID 107207734) is 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid is COc1cc(N)ccc1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid?
The InChIKey is FCLORZGRUIFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-10-7-8(13)4-5-9(10)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid?
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 107207734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).