(2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid

C11H19NO2 — CID 69352425

IUPAC(2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@@H]1C1CCCCC1
InChIInChI=1S/C11H19NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyFMXXVXZXZFKHRJ-ZJUUUORDSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds2

About (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid

(2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid (PubChem CID 69352425) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid
PubChem CID69352425
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@@H]1C1CCCCC1
InChIInChI=1S/C11H19NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyFMXXVXZXZFKHRJ-ZJUUUORDSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-3-cyclohexylpyrrolidine-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,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid (CID 69352425) is (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCC[C@@H]1C1CCCCC1.
What is the InChIKey of (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid?
The InChIKey is FMXXVXZXZFKHRJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid?
(2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69352425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).