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

C13H18N2O5 — CID 107839048

IUPAC2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
SMILESCOc1ccc(NC(=O)NCCC(O)C(=O)O)cc1C
InChIInChI=1S/C13H18N2O5/c1-8-7-9(3-4-11(8)20-2)15-13(19)14-6-5-10(16)12(17)18/h3-4,7,10,16H,5-6H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyQZZGBEVNIVYOMB-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.96
Rot. Bonds6

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

2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid (PubChem CID 107839048) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
PubChem CID107839048
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
SMILESCOc1ccc(NC(=O)NCCC(O)C(=O)O)cc1C
InChIInChI=1S/C13H18N2O5/c1-8-7-9(3-4-11(8)20-2)15-13(19)14-6-5-10(16)12(17)18/h3-4,7,10,16H,5-6H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyQZZGBEVNIVYOMB-UHFFFAOYSA-N
XLogP0.96
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838409
3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62669032
(2S)-4-[(4-ethoxy-3-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840883
(2S)-4-[(5-bromo-2-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839110
3-[(3,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167135
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835081
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
4-[(3-bromo-4-methoxyphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80541052
(2S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838410
4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838166
4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837896

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid (CID 107839048) is 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid is COc1ccc(NC(=O)NCCC(O)C(=O)O)cc1C.
What is the InChIKey of 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid?
The InChIKey is QZZGBEVNIVYOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8-7-9(3-4-11(8)20-2)15-13(19)14-6-5-10(16)12(17)18/h3-4,7,10,16H,5-6H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid?
2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107839048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).