3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid

C10H19NO2 — CID 62861866

IUPAC3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)CC1CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)6-11(2)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyAITSPKMUMXXEQE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds5

About 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid

3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 62861866) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
PubChem CID62861866
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)CC1CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)6-11(2)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyAITSPKMUMXXEQE-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 107400167
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
CID 82839853
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoate
CID 62861231
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
CID 64994702
2-methyl-3-[methyl(piperidin-4-ylmethyl)amino]propanamide
CID 79717263
2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid (CID 62861866) is 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid is CC(CN(C)CC1CCC1)C(=O)O.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is AITSPKMUMXXEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(10(12)13)6-11(2)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid?
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62861866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).