1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid

C12H19NO2 — CID 114996091

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(N2CC3CCC2C3)CCCC1
InChIInChI=1S/C12H19NO2/c14-11(15)12(5-1-2-6-12)13-8-9-3-4-10(13)7-9/h9-10H,1-8H2,(H,14,15)
InChIKeyBOIKJIYGFAPIOC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds2

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid

1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 114996091) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
PubChem CID114996091
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(N2CC3CCC2C3)CCCC1
InChIInChI=1S/C12H19NO2/c14-11(15)12(5-1-2-6-12)13-8-9-3-4-10(13)7-9/h9-10H,1-8H2,(H,14,15)
InChIKeyBOIKJIYGFAPIOC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-azabicyclo[2.2.1]heptan-2-yl)thiane-4-carboxylic acid
CID 114996885
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 114996562
[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
CID 63471950
(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
CID 87078055
1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 79654790
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088275
1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994693
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
1-(3,3-dimethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79695154

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid (CID 114996091) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(N2CC3CCC2C3)CCCC1.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is BOIKJIYGFAPIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(15)12(5-1-2-6-12)13-8-9-3-4-10(13)7-9/h9-10H,1-8H2,(H,14,15).
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid?
1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).