1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid

C13H23NO2 — CID 102787164

IUPAC1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(C)C2CCCC2)C1C(=O)O
InChIInChI=1S/C13H23NO2/c1-9-7-8-14(12(9)13(15)16)10(2)11-5-3-4-6-11/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyCVRCRMLZWDIUPW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

About 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid

1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102787164) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102787164
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(C)C2CCCC2)C1C(=O)O
InChIInChI=1S/C13H23NO2/c1-9-7-8-14(12(9)13(15)16)10(2)11-5-3-4-6-11/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyCVRCRMLZWDIUPW-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 130646219
1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383655
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242
3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 102787447
1-[1-(1-adamantyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786810
1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107072433
1-[1-(4-chlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786963
1-[1-(4-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786474
1-(1-cyclopentylethyl)piperidine-4-carboxylic acid
CID 65056131
1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786586
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565254

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102787164) is 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(C)C2CCCC2)C1C(=O)O.
What is the InChIKey of 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CVRCRMLZWDIUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-7-8-14(12(9)13(15)16)10(2)11-5-3-4-6-11/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102787164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).