1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid

C8H11NO2 — CID 57452722

IUPAC1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)C1=CC2CCCC2N1
InChIInChI=1S/C8H11NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h4-6,9H,1-3H2,(H,10,11)
InChIKeyXEYUXRPYOMKYAE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.73
Rot. Bonds1

About 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid

1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid (PubChem CID 57452722) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
PubChem CID57452722
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)C1=CC2CCCC2N1
InChIInChI=1S/C8H11NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h4-6,9H,1-3H2,(H,10,11)
InChIKeyXEYUXRPYOMKYAE-UHFFFAOYSA-N
XLogP0.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
CID 98595834
4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
CID 138593203
2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carboxylic acid
CID 15377291
cyclopentene-1,3-dicarboxylic acid
CID 10866576
2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid
CID 165441462
(3aS,6aR)-1,3a,4,5,6,6a-hexahydropentalene-2-carboxamide
CID 130979837
6-acetyl-3a,7a-dihydro-1H-indole-2-carboxylic acid
CID 112713302
1,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]pyrazole-3-carboxylic acid
CID 59153335
5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid
CID 70419790
di(cyclobutyl)methanone
CID 15444458
5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole-4-carboxylic acid
CID 84694597
5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
CID 15896268

Frequently Asked Questions

What is the IUPAC name of 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The IUPAC name of 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid (CID 57452722) is 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The canonical SMILES for 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid is O=C(O)C1=CC2CCCC2N1.
What is the InChIKey of 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The InChIKey is XEYUXRPYOMKYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h4-6,9H,1-3H2,(H,10,11).
What are the key properties of 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid?
1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 57452722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).