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

C12H16N2O4 — CID 80504243

IUPAC4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NCCCC(=O)O)c(N)c1
InChIInChI=1S/C12H16N2O4/c1-18-8-4-5-9(10(13)7-8)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRIPJISJQAIBURH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.87
Rot. Bonds6

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

4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid (PubChem CID 80504243) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
PubChem CID80504243
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NCCCC(=O)O)c(N)c1
InChIInChI=1S/C12H16N2O4/c1-18-8-4-5-9(10(13)7-8)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRIPJISJQAIBURH-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-[(2-amino-4-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-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid (CID 80504243) is 4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid is COc1ccc(C(=O)NCCCC(=O)O)c(N)c1.
What is the InChIKey of 4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid?
The InChIKey is RIPJISJQAIBURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-8-4-5-9(10(13)7-8)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-[(2-amino-4-methoxybenzoyl)amino]butanoic acid?
4-[(2-amino-4-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-[(2-amino-4-methoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 80504243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).