(2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid

C12H21NO2 — CID 51440978

IUPAC(2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1CC1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyXRYRJXQJSTWFDB-NSHDSACASA-N
MW211.30 g/mol
LogP2.12
Rot. Bonds3

About (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid

(2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 51440978) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID51440978
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1CC1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyXRYRJXQJSTWFDB-NSHDSACASA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(cyclohexylmethyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid (CID 51440978) is (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1CC1CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XRYRJXQJSTWFDB-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51440978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).