4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid

C11H19NO4 — CID 103162007

IUPAC4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)CC1CCC1)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-11(16,6-10(14)15)7-12-9(13)5-8-3-2-4-8/h8,16H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyWOBXHOYUNHLHRK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds6

About 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 103162007) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID103162007
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)CC1CCC1)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-11(16,6-10(14)15)7-12-9(13)5-8-3-2-4-8/h8,16H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyWOBXHOYUNHLHRK-UHFFFAOYSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 114458366
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 104968130
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
3-hydroxy-3-methyl-4-(thiane-2-carbonylamino)butanoic acid
CID 80594769
2-cyclobutyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 103867639
2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
CID 62782744
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 79527583
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002836
3-hydroxy-3-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 66003800
3-hydroxy-3-methyl-4-(thian-2-ylmethylcarbamoylamino)butanoic acid
CID 80612988

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 103162007) is 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)CC1CCC1)CC(=O)O.
What is the InChIKey of 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is WOBXHOYUNHLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(16,6-10(14)15)7-12-9(13)5-8-3-2-4-8/h8,16H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 103162007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).