3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid

C12H19NO2 — CID 105463214

IUPAC3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CC(C2)CN1C1CCCC1
InChIInChI=1S/C12H19NO2/c14-12(15)11-9-5-8(6-9)7-13(11)10-3-1-2-4-10/h8-11H,1-7H2,(H,14,15)
InChIKeyKGJISMUODPTGAJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.72
Rot. Bonds2

About 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid

3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid (PubChem CID 105463214) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid
PubChem CID105463214
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CC(C2)CN1C1CCCC1
InChIInChI=1S/C12H19NO2/c14-12(15)11-9-5-8(6-9)7-13(11)10-3-1-2-4-10/h8-11H,1-7H2,(H,14,15)
InChIKeyKGJISMUODPTGAJ-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 105439475
(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67775431
2-(3-methylcyclobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 103565256
2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895949
(3-cyclopropyl-3-azabicyclo[3.1.1]heptan-2-yl)methanamine
CID 105433243
2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid
CID 63075043
2-(1,1-dioxothiolan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895452
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
CID 126796367
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
1-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470314
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid?
The IUPAC name of 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid (CID 105463214) is 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid is O=C(O)C1C2CC(C2)CN1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid?
The InChIKey is KGJISMUODPTGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(15)11-9-5-8(6-9)7-13(11)10-3-1-2-4-10/h8-11H,1-7H2,(H,14,15).
What are the key properties of 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid?
3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid is sourced from PubChem (CID 105463214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).