3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C7H11NO3 — CID 154014382

IUPAC3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1COC2
InChIInChI=1S/C7H11NO3/c9-7(10)8-5-1-2-6(8)4-11-3-5/h5-6H,1-4H2,(H,9,10)
InChIKeyFUVBRCHEUUSPPS-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.53
Rot. Bonds

About 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid

3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 154014382) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID154014382
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1COC2
InChIInChI=1S/C7H11NO3/c9-7(10)8-5-1-2-6(8)4-11-3-5/h5-6H,1-4H2,(H,9,10)
InChIKeyFUVBRCHEUUSPPS-UHFFFAOYSA-N
XLogP0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxa-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 176998783
azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 164661076
(1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164101
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146425848
2-bromo-3-methyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 164661059
N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 164650614
1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione
CID 166216788
7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-6,9-dicarboxylic acid
CID 142795835
1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 126556753
(1S,5R)-7-(2-aminoanilino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 67082166
1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
CID 146602397
3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 69144531

Frequently Asked Questions

What is the IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 154014382) is 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)N1C2CCC1COC2.
What is the InChIKey of 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is FUVBRCHEUUSPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)8-5-1-2-6(8)4-11-3-5/h5-6H,1-4H2,(H,9,10).
What are the key properties of 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 154014382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).