4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid

C11H22N2O4 — CID 107841000

IUPAC4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(NC(=O)NCCC(O)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-7(11(2,3)4)13-10(17)12-6-5-8(14)9(15)16/h7-8,14H,5-6H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeySKQJWPQGVVQFMM-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.56
Rot. Bonds5

About 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid

4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 107841000) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID107841000
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(NC(=O)NCCC(O)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-7(11(2,3)4)13-10(17)12-6-5-8(14)9(15)16/h7-8,14H,5-6H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeySKQJWPQGVVQFMM-UHFFFAOYSA-N
XLogP0.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-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

4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 104829285
(2S)-2-hydroxy-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 114007399
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841105
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840202
2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107838991
(2S)-4-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007752
(2S)-2-hydroxy-4-(4-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 107840286
(2S)-4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839483
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid (CID 107841000) is 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid is CC(NC(=O)NCCC(O)C(=O)O)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is SKQJWPQGVVQFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(11(2,3)4)13-10(17)12-6-5-8(14)9(15)16/h7-8,14H,5-6H2,1-4H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107841000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).