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

C11H21NO2 — CID 115218342

IUPAC3-[2-cyclopentylethyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CCC1CCCC1
InChIInChI=1S/C11H21NO2/c1-12(9-7-11(13)14)8-6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyBRTVSGOBDNZAMK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

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

3-[2-cyclopentylethyl(methyl)amino]propanoic acid (PubChem CID 115218342) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[2-cyclopentylethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-cyclopentylethyl(methyl)amino]propanoic acid
PubChem CID115218342
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[2-cyclopentylethyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CCC1CCCC1
InChIInChI=1S/C11H21NO2/c1-12(9-7-11(13)14)8-6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyBRTVSGOBDNZAMK-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119911752
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
CID 115123154
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 115256306

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2-cyclopentylethyl(methyl)amino]propanoic acid (CID 115218342) is 3-[2-cyclopentylethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2-cyclopentylethyl(methyl)amino]propanoic acid is CN(CCC(=O)O)CCC1CCCC1.
What is the InChIKey of 3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
The InChIKey is BRTVSGOBDNZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12(9-7-11(13)14)8-6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-[2-cyclopentylethyl(methyl)amino]propanoic acid?
3-[2-cyclopentylethyl(methyl)amino]propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentylethyl(methyl)amino]propanoic acid is sourced from PubChem (CID 115218342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).