1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid

C11H13NO2 — CID 82403523

IUPAC1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid
SMILESO=C(O)c1c2c(n3c1CCC3)CCC2
InChIInChI=1S/C11H13NO2/c13-11(14)10-7-3-1-4-8(7)12-6-2-5-9(10)12/h1-6H2,(H,13,14)
InChIKeyRQMVPKCHBDKWLS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.62
Rot. Bonds1

About 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid

1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid (PubChem CID 82403523) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid
PubChem CID82403523
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid
SMILESO=C(O)c1c2c(n3c1CCC3)CCC2
InChIInChI=1S/C11H13NO2/c13-11(14)10-7-3-1-4-8(7)12-6-2-5-9(10)12/h1-6H2,(H,13,14)
InChIKeyRQMVPKCHBDKWLS-UHFFFAOYSA-N
XLogP1.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid
CID 82657512
2-methyl-3-(2-oxopropanoyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
CID 155038523
2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 136837170
3-bromo-4-methyl-2-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylic acid
CID 15924903
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
CID 1473420
5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
CID 83482177
1-tert-butyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 105461793
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3,6-dimethylbenzoic acid
CID 103431020
2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 155388917
2,3-dihydro-1H-indene-4,5-dicarboxylic acid
CID 22035348
2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid?
The IUPAC name of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid (CID 82403523) is 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid.
What is the SMILES notation for 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid?
The canonical SMILES for 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid is O=C(O)c1c2c(n3c1CCC3)CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid?
The InChIKey is RQMVPKCHBDKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)10-7-3-1-4-8(7)12-6-2-5-9(10)12/h1-6H2,(H,13,14).
What are the key properties of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid?
1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid is sourced from PubChem (CID 82403523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).