5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

C11H14N2O3S — CID 71262303

IUPAC5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2CC(O)(c3nccs3)CC2C1
InChIInChI=1S/C11H14N2O3S/c14-10(15)13-5-7-3-11(16,4-8(7)6-13)9-12-1-2-17-9/h1-2,7-8,16H,3-6H2,(H,14,15)
InChIKeyJVKQHMRRVOZRFM-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.35
Rot. Bonds1

About 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 71262303) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID71262303
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2CC(O)(c3nccs3)CC2C1
InChIInChI=1S/C11H14N2O3S/c14-10(15)13-5-7-3-11(16,4-8(7)6-13)9-12-1-2-17-9/h1-2,7-8,16H,3-6H2,(H,14,15)
InChIKeyJVKQHMRRVOZRFM-UHFFFAOYSA-N
XLogP1.35
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (CID 71262303) is 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is O=C(O)N1CC2CC(O)(c3nccs3)CC2C1.
What is the InChIKey of 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is JVKQHMRRVOZRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-10(15)13-5-7-3-11(16,4-8(7)6-13)9-12-1-2-17-9/h1-2,7-8,16H,3-6H2,(H,14,15).
What are the key properties of 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 71262303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).