(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid

C14H23NO2 — CID 101416391

IUPAC(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid
SMILESC[C@@H]1C[C@@H]2CCC[C@H]3CC[C@H](C(=O)O)[C@@H](C1)N32
InChIInChI=1S/C14H23NO2/c1-9-7-11-4-2-3-10-5-6-12(14(16)17)13(8-9)15(10)11/h9-13H,2-8H2,1H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1
InChIKeyHFZIAMNPEQOFEV-QNWJLWSRSA-N
MW237.34 g/mol
LogP2.50
Rot. Bonds1

About (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid

(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid (PubChem CID 101416391) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid
PubChem CID101416391
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid
SMILESC[C@@H]1C[C@@H]2CCC[C@H]3CC[C@H](C(=O)O)[C@@H](C1)N32
InChIInChI=1S/C14H23NO2/c1-9-7-11-4-2-3-10-5-6-12(14(16)17)13(8-9)15(10)11/h9-13H,2-8H2,1H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1
InChIKeyHFZIAMNPEQOFEV-QNWJLWSRSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid with MolForge

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Related Compounds

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CID 81468358
(1S,5R,6S)-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 131859498
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 98112257
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64734277
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114541288
2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 115034083

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid?
The IUPAC name of (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid (CID 101416391) is (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid.
What is the SMILES notation for (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid?
The canonical SMILES for (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid is C[C@@H]1C[C@@H]2CCC[C@H]3CC[C@H](C(=O)O)[C@@H](C1)N32.
What is the InChIKey of (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid?
The InChIKey is HFZIAMNPEQOFEV-QNWJLWSRSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-7-11-4-2-3-10-5-6-12(14(16)17)13(8-9)15(10)11/h9-13H,2-8H2,1H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1.
What are the key properties of (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid?
(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid is sourced from PubChem (CID 101416391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).