4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid

C11H22N2O4 — CID 107841235

IUPAC4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(C)(C)CCNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)5-7-13-10(17)12-6-4-8(14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyJWUZOTXENDESHI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.56
Rot. Bonds6

About 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid

4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 107841235) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID107841235
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
SMILESCC(C)(C)CCNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)5-7-13-10(17)12-6-4-8(14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyJWUZOTXENDESHI-UHFFFAOYSA-N
XLogP0.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
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-dimethylbutylcarbamoylamino)-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-methyl-2-methylsulfanylpropyl)carbamoylamino]butanoic acid
CID 107841097
2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107841054
(2S)-2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107841056
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
(2S)-4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839483
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840202
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007416
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid (CID 107841235) is 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid is CC(C)(C)CCNC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is JWUZOTXENDESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)5-7-13-10(17)12-6-4-8(14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid?
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107841235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).