2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid

C9H15NO3 — CID 28952583

IUPAC2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid
SMILESO=C(O)C[C@]1(O)CN2CCC1CC2
InChIInChI=1S/C9H15NO3/c11-8(12)5-9(13)6-10-3-1-7(9)2-4-10/h7,13H,1-6H2,(H,11,12)/t9-/m0/s1
InChIKeyFQHOIDZVXKJMNS-VIFPVBQESA-N
MW185.22 g/mol
LogP-0.08
Rot. Bonds2

About 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid

2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid (PubChem CID 28952583) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid
PubChem CID28952583
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid
SMILESO=C(O)C[C@]1(O)CN2CCC1CC2
InChIInChI=1S/C9H15NO3/c11-8(12)5-9(13)6-10-3-1-7(9)2-4-10/h7,13H,1-6H2,(H,11,12)/t9-/m0/s1
InChIKeyFQHOIDZVXKJMNS-VIFPVBQESA-N
XLogP-0.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide
CID 11194977
(3R)-3-(carboxymethyl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 1240873
tert-butyl 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)acetate
CID 45357691
(3R)-3-(chloromethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 42554392
(3S)-3-(chloromethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 42554394
(3S)-3-(sulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15643566
3-(sulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 11126763
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 20568205
(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 66724726
S-[[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]methyl] ethanethioate
CID 97305558
2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid
CID 105435405
S-[[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]methyl] ethanethioate
CID 97305557

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid (CID 28952583) is 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid is O=C(O)C[C@]1(O)CN2CCC1CC2.
What is the InChIKey of 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid?
The InChIKey is FQHOIDZVXKJMNS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)5-9(13)6-10-3-1-7(9)2-4-10/h7,13H,1-6H2,(H,11,12)/t9-/m0/s1.
What are the key properties of 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid?
2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid has a molecular weight of 185.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid is sourced from PubChem (CID 28952583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).