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

C16H22N2O2 — CID 60992317

IUPAC8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CC2CCC(C1)N2C
InChIInChI=1S/C16H22N2O2/c1-11-5-3-4-6-14(11)17-16(15(19)20)9-12-7-8-13(10-16)18(12)2/h3-6,12-13,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyJPLXHCLWEPVICO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.49
Rot. Bonds3

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

8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 60992317) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID60992317
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CC2CCC(C1)N2C
InChIInChI=1S/C16H22N2O2/c1-11-5-3-4-6-14(11)17-16(15(19)20)9-12-7-8-13(10-16)18(12)2/h3-6,12-13,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyJPLXHCLWEPVICO-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 60992317) is 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid is Cc1ccccc1NC1(C(=O)O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is JPLXHCLWEPVICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-5-3-4-6-14(11)17-16(15(19)20)9-12-7-8-13(10-16)18(12)2/h3-6,12-13,17H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 60992317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).