4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid

C15H22N2O4 — CID 107837896

IUPAC4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCC(C)(C)c1ccc(NC(=O)NCCC(O)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-4-6-11(7-5-10)17-14(21)16-9-8-12(18)13(19)20/h4-7,12,18H,8-9H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyOUAJCQCIBWSDGV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.94
Rot. Bonds5

About 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid

4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107837896) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107837896
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCC(C)(C)c1ccc(NC(=O)NCCC(O)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-4-6-11(7-5-10)17-14(21)16-9-8-12(18)13(19)20/h4-7,12,18H,8-9H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyOUAJCQCIBWSDGV-UHFFFAOYSA-N
XLogP1.94
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838166
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
(2S)-4-[(4-cyanophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835130
4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840119
1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
CID 71787902
4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835081
2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
CID 107839048
4-[(3,5-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007145
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
(2S)-4-[(4-bromo-3-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841614
(2S)-4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838409

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107837896) is 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid is CC(C)(C)c1ccc(NC(=O)NCCC(O)C(=O)O)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is OUAJCQCIBWSDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)10-4-6-11(7-5-10)17-14(21)16-9-8-12(18)13(19)20/h4-7,12,18H,8-9H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107837896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).