(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride

C11H20ClNO2 — CID 12805591

IUPAC(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1
InChIInChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m1./s1
InChIKeyBHGFUQJUTOVQOS-UXQCFNEQSA-N
MW233.74 g/mol
LogP2.05
Rot. Bonds2

About (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 12805591) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID12805591
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1
InChIInChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m1./s1
InChIKeyBHGFUQJUTOVQOS-UXQCFNEQSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9815560
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CID 9815559
2-Azaspiro[4.4]nonane-3-carboxylic acid hydrochloride
CID 137964495
(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid
CID 150074786
Tetrahydrodomoic Acid
CID 449234
Octahydroindole-2-carboxylic acid
CID 3274680
(2S,3aR,7aS)-octahydro-1H-indole-2-carboxylic acid
CID 7018901
6-Azabicyclo[3.2.1]octane-5-carboxylic acid hydrochloride
CID 43810831
2-Azaspiro[4.5]decane-3-carboxylic acid hydrochloride
CID 71318826
rac-(1R,3aR,6aS)-octahydrocyclopenta(c)pyrrole-1-carboxylic acid hydrochloride
CID 132372773
rac-(1R,3aS,7aR)-octahydro-1H-isoindole-1-carboxylic acid hydrochloride
CID 137964253

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride (CID 12805591) is (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1.
What is the InChIKey of (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is BHGFUQJUTOVQOS-UXQCFNEQSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m1./s1.
What are the key properties of (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 12805591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).