(3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid

C11H19NO2 — CID 129369626

IUPAC(3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H]1C1CCCCC1
InChIInChI=1S/C11H19NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m0/s1
InChIKeyOKFXFIAXJCYRML-VHSXEESVSA-N
MW197.28 g/mol
LogP1.49
Rot. Bonds2

About (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid

(3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid (PubChem CID 129369626) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid
PubChem CID129369626
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H]1C1CCCCC1
InChIInChI=1S/C11H19NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m0/s1
InChIKeyOKFXFIAXJCYRML-VHSXEESVSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid (CID 129369626) is (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CNC[C@H]1C1CCCCC1.
What is the InChIKey of (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid?
The InChIKey is OKFXFIAXJCYRML-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid?
(3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129369626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).