2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C16H22N2O2 — CID 115982219

IUPAC2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1cccnc1CN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C16H22N2O2/c1-11-3-2-6-17-15(11)10-18-13-4-5-14(18)8-12(7-13)9-16(19)20/h2-3,6,12-14H,4-5,7-10H2,1H3,(H,19,20)
InChIKeyCKDJHFXOXYSCJF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.61
Rot. Bonds4

About 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 115982219) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID115982219
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1cccnc1CN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C16H22N2O2/c1-11-3-2-6-17-15(11)10-18-13-4-5-14(18)8-12(7-13)9-16(19)20/h2-3,6,12-14H,4-5,7-10H2,1H3,(H,19,20)
InChIKeyCKDJHFXOXYSCJF-UHFFFAOYSA-N
XLogP2.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 115982219) is 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is Cc1cccnc1CN1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is CKDJHFXOXYSCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-3-2-6-17-15(11)10-18-13-4-5-14(18)8-12(7-13)9-16(19)20/h2-3,6,12-14H,4-5,7-10H2,1H3,(H,19,20).
What are the key properties of 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 274.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 115982219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).