3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid

C11H22N2O4 — CID 66003618

IUPAC3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
SMILESCCC(C)CNC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-8(2)6-12-10(16)13-7-11(3,17)5-9(14)15/h8,17H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyARTUBDWNLYBSSO-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.56
Rot. Bonds7

About 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid

3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid (PubChem CID 66003618) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
PubChem CID66003618
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
SMILESCCC(C)CNC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-8(2)6-12-10(16)13-7-11(3,17)5-9(14)15/h8,17H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyARTUBDWNLYBSSO-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001833
3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 66001000
4-(3-ethylpentan-3-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003041
4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003778
3-(2-methylbutylcarbamoylamino)butanoic acid
CID 62691851
4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002009
3-hydroxy-3-methyl-4-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106038878
3-hydroxy-4-[(4-methoxy-4-oxobutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 114283963
3-hydroxy-3-methyl-4-(2-methylsulfonylethylcarbamoylamino)butanoic acid
CID 66001615
4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid (CID 66003618) is 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid is CCC(C)CNC(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid?
The InChIKey is ARTUBDWNLYBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-8(2)6-12-10(16)13-7-11(3,17)5-9(14)15/h8,17H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid?
3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.56, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid is sourced from PubChem (CID 66003618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).