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

C8H13NO3 — CID 176955971

IUPAC2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid
SMILESO=C(O)CN1C2CCC1COC2
InChIInChI=1S/C8H13NO3/c10-8(11)3-9-6-1-2-7(9)5-12-4-6/h6-7H,1-5H2,(H,10,11)
InChIKeyWFFJLLZKAOOZGM-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.07
Rot. Bonds2

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

2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid (PubChem CID 176955971) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid
PubChem CID176955971
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid
SMILESO=C(O)CN1C2CCC1COC2
InChIInChI=1S/C8H13NO3/c10-8(11)3-9-6-1-2-7(9)5-12-4-6/h6-7H,1-5H2,(H,10,11)
InChIKeyWFFJLLZKAOOZGM-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-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 66391932
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetaldehyde;hydrochloride
CID 87331556
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetaldehyde
CID 87331557
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanol
CID 146346341
3-Oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 154014382
(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid
CID 172577010
(2R)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanal
CID 172577020
(2S)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid
CID 172577031
(2S)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propanal
CID 172577034
3-Oxa-8-azabicyclo[3.2.1]octan-8-ylmethanol
CID 175915709
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}acetic acid hydrochloride
CID 176955983
4-[1-(Oxolan-2-yl)ethyl]morpholine-2,6-dione
CID 63779053

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid?
The IUPAC name of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid (CID 176955971) is 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid.
What is the SMILES notation for 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid?
The canonical SMILES for 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid is O=C(O)CN1C2CCC1COC2.
What is the InChIKey of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid?
The InChIKey is WFFJLLZKAOOZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8(11)3-9-6-1-2-7(9)5-12-4-6/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid?
2-(3-oxa-8-azabicyclo[3.2.1]octan-8-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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)acetic acid is sourced from PubChem (CID 176955971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).