8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C13H23NO2 — CID 115035151

IUPAC8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCC(C)CC1C(C(=O)O)CC2CCC1N2C
InChIInChI=1S/C13H23NO2/c1-8(2)6-10-11(13(15)16)7-9-4-5-12(10)14(9)3/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyMACQRFDSALTXSS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds3

About 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid

8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 115035151) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID115035151
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCC(C)CC1C(C(=O)O)CC2CCC1N2C
InChIInChI=1S/C13H23NO2/c1-8(2)6-10-11(13(15)16)7-9-4-5-12(10)14(9)3/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyMACQRFDSALTXSS-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid with MolForge

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Related Compounds

(1R,2S,3R,5S)-2-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 70607420
2-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 115034083
(1S,5R,6S)-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 131859498
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid chloride
CID 53313515
(1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 124541399
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
methyl (1R,2S,3S,5R)-2-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 90680162
(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol
CID 69428713
7-methylsulfinyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 127006196
ethyl (1S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 161298426
7-heptan-2-yl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 80558528
(1R,2R,3S,5S)-2-(3-hydroxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 70607261

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 115035151) is 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CC(C)CC1C(C(=O)O)CC2CCC1N2C.
What is the InChIKey of 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is MACQRFDSALTXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8(2)6-10-11(13(15)16)7-9-4-5-12(10)14(9)3/h8-12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 115035151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).