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

C8H12ClNO2 — CID 15965714

IUPAC(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2CCCC2=N1
InChIInChI=1S/C8H11NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5,7H,1-4H2,(H,10,11);1H/t5?,7-;/m0./s1
InChIKeyHAFCPLKGNSHSBQ-CRSWKAPQSA-N
MW189.64 g/mol
LogP1.51
Rot. Bonds1

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

(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 15965714) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
PubChem CID15965714
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2CCCC2=N1
InChIInChI=1S/C8H11NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5,7H,1-4H2,(H,10,11);1H/t5?,7-;/m0./s1
InChIKeyHAFCPLKGNSHSBQ-CRSWKAPQSA-N
XLogP1.51
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.51
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
CID 15965715
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
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(2-carboxy-3,4-dihydro-2H-pyrrol-5-yl)-trihydroxyphosphanium
CID 91934485
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride (CID 15965714) is (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is HAFCPLKGNSHSBQ-CRSWKAPQSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5,7H,1-4H2,(H,10,11);1H/t5?,7-;/m0./s1.
What are the key properties of (2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride?
(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 189.64 g/mol, XLogP of 1.51, 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;hydrochloride is sourced from PubChem (CID 15965714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).