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

C15H22N2O4 — CID 107840119

IUPAC4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCC(C)(C)c1ccccc1NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-6-4-5-7-11(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)
InChIKeyPRSFAJLXDDEWNQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.94
Rot. Bonds5

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

4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107840119) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107840119
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCC(C)(C)c1ccccc1NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-6-4-5-7-11(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)
InChIKeyPRSFAJLXDDEWNQ-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

Analyze 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic 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)-2-hydroxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 107835137
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837896
(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
CID 107841438
1-(3-hydroxy-4,4-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90523655
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085564
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107840119) is 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid is CC(C)(C)c1ccccc1NC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is PRSFAJLXDDEWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)10-6-4-5-7-11(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-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(2-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-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).