2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 67945691

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCC2CCCN21
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)7-4-3-6-2-1-5-9(6)7;/h6-7H,1-5H2,(H,10,11);1H
InChIKeyJVBXNMUTBOCPRP-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.12
Rot. Bonds1

About 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride

2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride (PubChem CID 67945691) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
PubChem CID67945691
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCC2CCCN21
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)7-4-3-6-2-1-5-9(6)7;/h6-7H,1-5H2,(H,10,11);1H
InChIKeyJVBXNMUTBOCPRP-UHFFFAOYSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
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(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
(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-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride (CID 67945691) is 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCC2CCCN21.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride?
The InChIKey is JVBXNMUTBOCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-8(11)7-4-3-6-2-1-5-9(6)7;/h6-7H,1-5H2,(H,10,11);1H.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride?
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67945691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).