3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid

C11H22N2O2 — CID 115256306

IUPAC3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
SMILESCNC(CN(C)CCC1CCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-12-10(11(14)15)8-13(2)7-6-9-4-3-5-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyYMQHEMFRGFAEQK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds7

About 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid

3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid (PubChem CID 115256306) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
PubChem CID115256306
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
SMILESCNC(CN(C)CCC1CCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-12-10(11(14)15)8-13(2)7-6-9-4-3-5-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyYMQHEMFRGFAEQK-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250462
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
CID 115123154
2-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 63866270
4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide
CID 63055054
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid?
The IUPAC name of 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid (CID 115256306) is 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid?
The canonical SMILES for 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid is CNC(CN(C)CCC1CCC1)C(=O)O.
What is the InChIKey of 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid?
The InChIKey is YMQHEMFRGFAEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-10(11(14)15)8-13(2)7-6-9-4-3-5-9/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid?
3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid is sourced from PubChem (CID 115256306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).