(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid

C12H19NO2 — CID 98112266

IUPAC(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)C1C[C@H]2CCC[C@H](C1)N2C1CC1
InChIInChI=1S/C12H19NO2/c14-12(15)8-6-10-2-1-3-11(7-8)13(10)9-4-5-9/h8-11H,1-7H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyPHFWGTWMDZMBFZ-GHMZBOCLSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds2

About (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid

(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid (PubChem CID 98112266) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
PubChem CID98112266
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)C1C[C@H]2CCC[C@H](C1)N2C1CC1
InChIInChI=1S/C12H19NO2/c14-12(15)8-6-10-2-1-3-11(7-8)13(10)9-4-5-9/h8-11H,1-7H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyPHFWGTWMDZMBFZ-GHMZBOCLSA-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

(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 98112257
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
(1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164101
8-cyclobutyl-8-azabicyclo[3.2.1]octane
CID 23151234
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113652
(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid
CID 101416391
9-cyclobutyl-9-azabicyclo[3.3.1]nonane
CID 23151237
(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
CID 131019218
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 121229883
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The IUPAC name of (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid (CID 98112266) is (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid.
What is the SMILES notation for (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The canonical SMILES for (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid is O=C(O)C1C[C@H]2CCC[C@H](C1)N2C1CC1.
What is the InChIKey of (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The InChIKey is PHFWGTWMDZMBFZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(15)8-6-10-2-1-3-11(7-8)13(10)9-4-5-9/h8-11H,1-7H2,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid?
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-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 (1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid is sourced from PubChem (CID 98112266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).