1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid

C12H21NO2 — CID 65066559

IUPAC1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C1CCCC1)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-9(10-4-2-3-5-10)13-7-6-11(8-13)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyQVCPSMJWAYAIKB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds3

About 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid

1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 65066559) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
PubChem CID65066559
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C1CCCC1)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-9(10-4-2-3-5-10)13-7-6-11(8-13)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyQVCPSMJWAYAIKB-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)piperidine-4-carboxylic acid
CID 65056131
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995339
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736
1-(1-cyclohexylethyl)-3-ethylpiperidin-4-amine
CID 81457020
1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
CID 169177339
(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
CID 81119636
[1-(1-cyclopentylethyl)pyrrolidin-3-yl]methanamine
CID 62632841
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid (CID 65066559) is 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid is CC(C1CCCC1)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QVCPSMJWAYAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(10-4-2-3-5-10)13-7-6-11(8-13)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid?
1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65066559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).