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

C8H13NO2 — CID 19990612

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
SMILESO=C(O)C1CCC2CCCN21
InChIInChI=1S/C8H13NO2/c10-8(11)7-4-3-6-2-1-5-9(6)7/h6-7H,1-5H2,(H,10,11)
InChIKeyCLFIHFDKFSERQF-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.70
Rot. Bonds1

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

2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid (PubChem CID 19990612) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
PubChem CID19990612
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
SMILESO=C(O)C1CCC2CCCN21
InChIInChI=1S/C8H13NO2/c10-8(11)7-4-3-6-2-1-5-9(6)7/h6-7H,1-5H2,(H,10,11)
InChIKeyCLFIHFDKFSERQF-UHFFFAOYSA-N
XLogP0.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.70
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;hydrochloride
CID 67945691
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
CID 126796367
(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?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid (CID 19990612) is 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid is O=C(O)C1CCC2CCCN21.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid?
The InChIKey is CLFIHFDKFSERQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)7-4-3-6-2-1-5-9(6)7/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid?
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.70, 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 is sourced from PubChem (CID 19990612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).