(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid

C8H11NO2 — CID 15965715

IUPAC(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC2CCCC2=N1
InChIInChI=1S/C8H11NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5,7H,1-4H2,(H,10,11)/t5?,7-/m0/s1
InChIKeyABURISLLJMSTIS-MSZQBOFLSA-N
MW153.18 g/mol
LogP1.08
Rot. Bonds1

About (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid

(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid (PubChem CID 15965715) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
PubChem CID15965715
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC2CCCC2=N1
InChIInChI=1S/C8H11NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5,7H,1-4H2,(H,10,11)/t5?,7-/m0/s1
InChIKeyABURISLLJMSTIS-MSZQBOFLSA-N
XLogP1.08
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
CID 15965714
1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone
CID 129198855
1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone
CID 134425719
2,3,3a,4,5,6-hexahydro-1H-indene-5-carboxylic acid
CID 23008857
(2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate
CID 102268616
ethyl 5-cyclooctyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 145446733
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(2-carboxy-3,4-dihydro-2H-pyrrol-5-yl)-trihydroxyphosphanium
CID 91934485
4,5-dihydro-3H-pyrazole-3,5-dicarboxylic acid
CID 154303884
(5aS,8aS)-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline;(Z)-but-2-enedioic acid
CID 70550465
2-cyclopentyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-6-carboxylic acid
CID 115066270
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The IUPAC name of (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid (CID 15965715) is (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid.
What is the SMILES notation for (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The canonical SMILES for (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid is O=C(O)[C@@H]1CC2CCCC2=N1.
What is the InChIKey of (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The InChIKey is ABURISLLJMSTIS-MSZQBOFLSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5,7H,1-4H2,(H,10,11)/t5?,7-/m0/s1.
What are the key properties of (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 15965715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).