2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid

C14H19NO6 — CID 62480344

IUPAC2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C14H19NO6/c1-19-7-6-11(14(17)18)15-13(16)10-5-4-9(20-2)8-12(10)21-3/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUWLHOGNCIZXSNU-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.92
Rot. Bonds8

About 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid

2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 62480344) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
PubChem CID62480344
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C14H19NO6/c1-19-7-6-11(14(17)18)15-13(16)10-5-4-9(20-2)8-12(10)21-3/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUWLHOGNCIZXSNU-UHFFFAOYSA-N
XLogP0.92
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4-dimethoxybenzoyl)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

4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120977642
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996
2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399
2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 43357821
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
2-[(4-bromo-2-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 113295962

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid (CID 62480344) is 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1ccc(OC)cc1OC)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is UWLHOGNCIZXSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-19-7-6-11(14(17)18)15-13(16)10-5-4-9(20-2)8-12(10)21-3/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid?
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).