4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid

C15H22N2O5 — CID 3381137

IUPAC4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)Nc1cc(OC)ccc1OC)C(=O)O
InChIInChI=1S/C15H22N2O5/c1-4-7-16-12(15(19)20)9-14(18)17-11-8-10(21-2)5-6-13(11)22-3/h5-6,8,12,16H,4,7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFCRZXCUFWQOREX-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.49
Rot. Bonds9

About 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid

4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid (PubChem CID 3381137) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid
PubChem CID3381137
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)Nc1cc(OC)ccc1OC)C(=O)O
InChIInChI=1S/C15H22N2O5/c1-4-7-16-12(15(19)20)9-14(18)17-11-8-10(21-2)5-6-13(11)22-3/h5-6,8,12,16H,4,7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFCRZXCUFWQOREX-UHFFFAOYSA-N
XLogP1.49
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)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

(2S)-4-(2,5-dimethoxyanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
CID 7591987
(2R)-4-(2,5-dimethoxyanilino)-2-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7592007
(2S)-4-(2,4-dimethoxyanilino)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 41397620
4-(5-chloro-2-methoxyanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 3379069
N-(2,5-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663324
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
2-(hexylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid
CID 18858519
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(2-methoxyanilino)-4-oxobutanoic acid
CID 3359974
(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181766

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid?
The IUPAC name of 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid (CID 3381137) is 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid?
The canonical SMILES for 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid is CCCNC(CC(=O)Nc1cc(OC)ccc1OC)C(=O)O.
What is the InChIKey of 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid?
The InChIKey is FCRZXCUFWQOREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-4-7-16-12(15(19)20)9-14(18)17-11-8-10(21-2)5-6-13(11)22-3/h5-6,8,12,16H,4,7,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid?
4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid has a molecular weight of 310.35 g/mol, XLogP of 1.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid is sourced from PubChem (CID 3381137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).