(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride

C11H20ClNO2 — CID 141195485

IUPAC(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN1C1CCCCC1
InChIInChI=1S/C11H19NO2.ClH/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9;/h9-10H,1-8H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyBDGHICOXZQQWFA-PPHPATTJSA-N
MW233.74 g/mol
LogP2.29
Rot. Bonds2

About (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride

(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 141195485) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID141195485
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN1C1CCCCC1
InChIInChI=1S/C11H19NO2.ClH/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9;/h9-10H,1-8H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyBDGHICOXZQQWFA-PPHPATTJSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126796367
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
1-(thiepan-4-yl)pyrrolidine-2-carboxylic acid
CID 164646520
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
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1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride (CID 141195485) is (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN1C1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is BDGHICOXZQQWFA-PPHPATTJSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9;/h9-10H,1-8H2,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 141195485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).