2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid

C11H22N2O2 — CID 115240935

IUPAC2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
SMILESCN(CCC1CCCC1)CC(N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-13(8-10(12)11(14)15)7-6-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyIEOBYEAALQVZFZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.91
Rot. Bonds6

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

2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid (PubChem CID 115240935) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
PubChem CID115240935
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
SMILESCN(CCC1CCCC1)CC(N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-13(8-10(12)11(14)15)7-6-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyIEOBYEAALQVZFZ-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-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250462
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
CID 115123154
3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 115256306
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]butanoic acid
CID 115241885
2-amino-3-[2-cyanoethyl(methyl)amino]propanoic acid
CID 65444022
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
2-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181196
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid (CID 115240935) is 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid is CN(CCC1CCCC1)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
The InChIKey is IEOBYEAALQVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(8-10(12)11(14)15)7-6-9-4-2-3-5-9/h9-10H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic 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-3-[2-cyclopentylethyl(methyl)amino]propanoic acid is sourced from PubChem (CID 115240935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).