1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C10H17NO2 — CID 151420408

IUPAC1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCC1CCC2CCC1(C)N2C(=O)O
InChIInChI=1S/C10H17NO2/c1-7-3-4-8-5-6-10(7,2)11(8)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyPAKONVMXSFIGBT-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.32
Rot. Bonds

About 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid

1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 151420408) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID151420408
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCC1CCC2CCC1(C)N2C(=O)O
InChIInChI=1S/C10H17NO2/c1-7-3-4-8-5-6-10(7,2)11(8)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyPAKONVMXSFIGBT-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786617
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65065747
1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79862792
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
CID 65082997
2-[1-(4,4-dimethylcyclohexyl)piperidin-2-yl]acetic acid
CID 65063549
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293
(1R,5S)-1-tert-butyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 176653719

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 151420408) is 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid is CC1CCC2CCC1(C)N2C(=O)O.
What is the InChIKey of 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is PAKONVMXSFIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-3-4-8-5-6-10(7,2)11(8)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 151420408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).