2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H23N3O3 — CID 102895283

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC(C)(C)c1nnc(CN2CC3CCCC3C2C(=O)O)o1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)14-17-16-11(21-14)8-18-7-9-5-4-6-10(9)12(18)13(19)20/h9-10,12H,4-8H2,1-3H3,(H,19,20)
InChIKeyQIJYNTFMMPTOKY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.05
Rot. Bonds3

About 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102895283) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102895283
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC(C)(C)c1nnc(CN2CC3CCCC3C2C(=O)O)o1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)14-17-16-11(21-14)8-18-7-9-5-4-6-10(9)12(18)13(19)20/h9-10,12H,4-8H2,1-3H3,(H,19,20)
InChIKeyQIJYNTFMMPTOKY-UHFFFAOYSA-N
XLogP2.05
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102895283) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CC(C)(C)c1nnc(CN2CC3CCCC3C2C(=O)O)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is QIJYNTFMMPTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)14-17-16-11(21-14)8-18-7-9-5-4-6-10(9)12(18)13(19)20/h9-10,12H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102895283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).