1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid

C15H25NO3 — CID 119256212

IUPAC1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(CC1CCCC1)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-11(9-12-5-3-4-6-12)13(17)16-8-7-15(2,10-16)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyRBDXGMUOABGWLT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds4

About 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256212) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256212
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(CC1CCCC1)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-11(9-12-5-3-4-6-12)13(17)16-8-7-15(2,10-16)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyRBDXGMUOABGWLT-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124682258
1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046353
1-[2-(cyclopentanecarbonylamino)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257319
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147981
1-[cyclohexyl(ethyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145564
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165966
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256934
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 119256212) is 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid is CC(CC1CCCC1)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is RBDXGMUOABGWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(9-12-5-3-4-6-12)13(17)16-8-7-15(2,10-16)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).