4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid

C13H18N2O4 — CID 107838166

IUPAC4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCc1ccc(NC(=O)NCCC(O)C(=O)O)cc1
InChIInChI=1S/C13H18N2O4/c1-2-9-3-5-10(6-4-9)15-13(19)14-8-7-11(16)12(17)18/h3-6,11,16H,2,7-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyFUEGOZDQERDVRA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.21
Rot. Bonds6

About 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid

4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107838166) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107838166
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCc1ccc(NC(=O)NCCC(O)C(=O)O)cc1
InChIInChI=1S/C13H18N2O4/c1-2-9-3-5-10(6-4-9)15-13(19)14-8-7-11(16)12(17)18/h3-6,11,16H,2,7-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyFUEGOZDQERDVRA-UHFFFAOYSA-N
XLogP1.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837896
3-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852
(2S)-4-[(4-cyanophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835130
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835081
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
(2S)-4-[(4-ethoxy-3-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840883
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
2-hydroxy-4-[[3-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 107838735
2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
CID 107839048
4-[(3,5-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007145
(2S)-4-[(4-bromo-3-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841614

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107838166) is 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid is CCc1ccc(NC(=O)NCCC(O)C(=O)O)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is FUEGOZDQERDVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-9-3-5-10(6-4-9)15-13(19)14-8-7-11(16)12(17)18/h3-6,11,16H,2,7-8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).