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

C13H23NO2 — CID 79383655

IUPAC1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(C1CCCC1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H23NO2/c1-9(11-5-3-4-6-11)14-8-7-12(10(14)2)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyWVSVRAVJALVOHA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

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

1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79383655) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79383655
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(C1CCCC1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H23NO2/c1-9(11-5-3-4-6-11)14-8-7-12(10(14)2)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyWVSVRAVJALVOHA-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

2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369265
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96603802
2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383736
1-(1-cyclopentylethyl)piperidine-4-carboxylic acid
CID 65056131
2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383005
1-[1-(4-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383647
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
CID 65066559
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79383655) is 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid is CC(C1CCCC1)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WVSVRAVJALVOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(11-5-3-4-6-11)14-8-7-12(10(14)2)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-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)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).