2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid

C11H22N2O2 — CID 62861052

IUPAC2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
SMILESCN(CCC(C)(N)C(=O)O)CC1CCC1
InChIInChI=1S/C11H22N2O2/c1-11(12,10(14)15)6-7-13(2)8-9-4-3-5-9/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyFJEUCUOGPCGUBI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.91
Rot. Bonds6

About 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid

2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid (PubChem CID 62861052) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
PubChem CID62861052
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
SMILESCN(CCC(C)(N)C(=O)O)CC1CCC1
InChIInChI=1S/C11H22N2O2/c1-11(12,10(14)15)6-7-13(2)8-9-4-3-5-9/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyFJEUCUOGPCGUBI-UHFFFAOYSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutan-1-ol
CID 64787239
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581
1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 62862391
methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate
CID 63054893
4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062332
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid (CID 62861052) is 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid is CN(CCC(C)(N)C(=O)O)CC1CCC1.
What is the InChIKey of 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid?
The InChIKey is FJEUCUOGPCGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(12,10(14)15)6-7-13(2)8-9-4-3-5-9/h9H,3-8,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid?
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 62861052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).