2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C13H21NO2 — CID 115034083

IUPAC2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1C2CCC1C(C1CCC1)C(C(=O)O)C2
InChIInChI=1S/C13H21NO2/c1-14-9-5-6-11(14)12(8-3-2-4-8)10(7-9)13(15)16/h8-12H,2-7H2,1H3,(H,15,16)
InChIKeyUKNNVRHQHFCEFJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds2

About 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 115034083) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID115034083
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1C2CCC1C(C1CCC1)C(C(=O)O)C2
InChIInChI=1S/C13H21NO2/c1-14-9-5-6-11(14)12(8-3-2-4-8)10(7-9)13(15)16/h8-12H,2-7H2,1H3,(H,15,16)
InChIKeyUKNNVRHQHFCEFJ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R,6S)-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 131859498
8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 115035151
8-methyl-2-piperidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 115034725
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
CID 15748739
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid chloride
CID 53313515
(1R,2S,3R,5S)-2-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 70607420
7-methylsulfinyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 127006196
2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid
CID 84653507
(1R,2R,3S,5S)-2-(3-hydroxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 70607261
8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
CID 70575107
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
7-(propan-2-ylsulfamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114806440

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 115034083) is 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CN1C2CCC1C(C1CCC1)C(C(=O)O)C2.
What is the InChIKey of 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is UKNNVRHQHFCEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14-9-5-6-11(14)12(8-3-2-4-8)10(7-9)13(15)16/h8-12H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 115034083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).