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

C8H13NO3 — CID 66391932

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
SMILESO=C(O)CN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO3/c10-8(11)5-9-3-6-1-2-7(4-9)12-6/h6-7H,1-5H2,(H,10,11)
InChIKeyLOKZRXBQUFIVNV-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.07
Rot. Bonds2

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

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid (PubChem CID 66391932) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
PubChem CID66391932
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
SMILESO=C(O)CN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO3/c10-8(11)5-9-3-6-1-2-7(4-9)12-6/h6-7H,1-5H2,(H,10,11)
InChIKeyLOKZRXBQUFIVNV-UHFFFAOYSA-N
XLogP-0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
CID 11042173
2-(8-oxa-3-aZabicyclo[3.2.1]octan-3-yl)ethan-1-ol
CID 66370951
[2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl] 2,2,2-trifluoroacetate
CID 156853979
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 175383532
2-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]acetic acid
CID 43397377
2-{[(Furan-2-yl)methyl](methyl)amino}acetic acid
CID 43442255
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
CID 66394065
2-(4-((Tetrahydrofuran-2-yl)methyl)piperazin-1-yl)acetic acid hydrochloride
CID 67009184
(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 68914815
8-Oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69490988
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride
CID 87331547
Tert-butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 156853949

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid (CID 66391932) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid is O=C(O)CN1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid?
The InChIKey is LOKZRXBQUFIVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8(11)5-9-3-6-1-2-7(4-9)12-6/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid has a molecular weight of 171.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid is sourced from PubChem (CID 66391932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).