2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H20N2O2 — CID 79015062

IUPAC2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C15H20N2O2/c18-15(19)9-11-7-13-4-5-14(8-11)17(13)10-12-3-1-2-6-16-12/h1-3,6,11,13-14H,4-5,7-10H2,(H,18,19)
InChIKeyAZJYEDKNVOEDPR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds4

About 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79015062) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79015062
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C15H20N2O2/c18-15(19)9-11-7-13-4-5-14(8-11)17(13)10-12-3-1-2-6-16-12/h1-3,6,11,13-14H,4-5,7-10H2,(H,18,19)
InChIKeyAZJYEDKNVOEDPR-UHFFFAOYSA-N
XLogP2.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 82242881
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
2-[8-[(3-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 115982219
2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606153
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
1-(pyridin-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471528
2-[8-[(4-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605621
(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide
CID 102416597
2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011050
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
2-[8-[(2,4-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610176

Frequently Asked Questions

What is the IUPAC name of 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79015062) is 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2Cc1ccccn1.
What is the InChIKey of 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is AZJYEDKNVOEDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)9-11-7-13-4-5-14(8-11)17(13)10-12-3-1-2-6-16-12/h1-3,6,11,13-14H,4-5,7-10H2,(H,18,19).
What are the key properties of 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 260.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79015062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).