3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid

C13H18N2O4 — CID 62669032

IUPAC3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCOc1ccc(NC(=O)NCC(C)C(=O)O)cc1C
InChIInChI=1S/C13H18N2O4/c1-8-6-10(4-5-11(8)19-3)15-13(18)14-7-9(2)12(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyIHZPDELCTVDQPX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.85
Rot. Bonds5

About 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid

3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 62669032) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID62669032
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCOc1ccc(NC(=O)NCC(C)C(=O)O)cc1C
InChIInChI=1S/C13H18N2O4/c1-8-6-10(4-5-11(8)19-3)15-13(18)14-7-9(2)12(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyIHZPDELCTVDQPX-UHFFFAOYSA-N
XLogP1.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic 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

3-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668647
2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
CID 107839048
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
3-[(3,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167135
(2S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838410
1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
CID 60546005
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150
4-[(3-bromo-4-methoxyphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80541052
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid (CID 62669032) is 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid is COc1ccc(NC(=O)NCC(C)C(=O)O)cc1C.
What is the InChIKey of 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is IHZPDELCTVDQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-6-10(4-5-11(8)19-3)15-13(18)14-7-9(2)12(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62669032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).