2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid

C11H22N2O4 — CID 107841054

IUPAC2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
SMILESCCCC(C)(C)NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-11(2,3)13-10(17)12-7-5-8(14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyIFEVNMAWJCENAR-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.70
Rot. Bonds7

About 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid

2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid (PubChem CID 107841054) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
PubChem CID107841054
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
SMILESCCCC(C)(C)NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-11(2,3)13-10(17)12-7-5-8(14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyIFEVNMAWJCENAR-UHFFFAOYSA-N
XLogP0.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic 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-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107841056
(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 107841057
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
(2S)-4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839483
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
(2S)-4-hydroxy-2-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107829003
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid (CID 107841054) is 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid is CCCC(C)(C)NC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is IFEVNMAWJCENAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-6-11(2,3)13-10(17)12-7-5-8(14)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid?
2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-methylpentan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107841054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).