3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid

C10H19NO2 — CID 117042397

IUPAC3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
SMILESCN(C1CCC1)C(C)(C)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,7-9(12)13)11(3)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyHPWOVDJPWCCTRQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.72
Rot. Bonds4

About 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid

3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid (PubChem CID 117042397) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
PubChem CID117042397
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
SMILESCN(C1CCC1)C(C)(C)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,7-9(12)13)11(3)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyHPWOVDJPWCCTRQ-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid
CID 110838605
3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid
CID 110838614
2-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
3-cyclohexyl-3-(dimethylamino)butanoic acid
CID 64527768
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114994706
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002428
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
3-methyl-3-[methyl-[2-(oxan-2-yl)acetyl]amino]butanoic acid
CID 110837566
2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid
CID 65095103

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid (CID 117042397) is 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid is CN(C1CCC1)C(C)(C)CC(=O)O.
What is the InChIKey of 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid?
The InChIKey is HPWOVDJPWCCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,7-9(12)13)11(3)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid?
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 117042397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).