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

C13H23NO2 — CID 102786041

IUPAC1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC2CCCCC2)C1C(=O)O
InChIInChI=1S/C13H23NO2/c1-10-7-8-14(12(10)13(15)16)9-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeySENZSDUZTHBFKK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

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

1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102786041) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102786041
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC2CCCCC2)C1C(=O)O
InChIInChI=1S/C13H23NO2/c1-10-7-8-14(12(10)13(15)16)9-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeySENZSDUZTHBFKK-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

Analyze 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-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

1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785259
1-but-2-ynyl-3-methylpyrrolidine-2-carboxylic acid
CID 102785800
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784243
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785626
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785922
3-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxylic acid
CID 102784810
(3S,4S)-1-(cyclooctylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114207962
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid
CID 102784116

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102786041) is 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(CC2CCCCC2)C1C(=O)O.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is SENZSDUZTHBFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-7-8-14(12(10)13(15)16)9-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(cyclohexylmethyl)-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-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).