2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C16H26N2O2 — CID 102895949

IUPAC2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1CC(N2CC3CCCC3C2C(=O)O)CN1C1CC1
InChIInChI=1S/C16H26N2O2/c1-10-7-13(9-17(10)12-5-6-12)18-8-11-3-2-4-14(11)15(18)16(19)20/h10-15H,2-9H2,1H3,(H,19,20)
InChIKeyCEVWUIGAZULLJT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102895949) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102895949
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1CC(N2CC3CCCC3C2C(=O)O)CN1C1CC1
InChIInChI=1S/C16H26N2O2/c1-10-7-13(9-17(10)12-5-6-12)18-8-11-3-2-4-14(11)15(18)16(19)20/h10-15H,2-9H2,1H3,(H,19,20)
InChIKeyCEVWUIGAZULLJT-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102895949) is 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CC1CC(N2CC3CCCC3C2C(=O)O)CN1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is CEVWUIGAZULLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10-7-13(9-17(10)12-5-6-12)18-8-11-3-2-4-14(11)15(18)16(19)20/h10-15H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 278.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102895949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).