3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid

C8H13NO3 — CID 71757780

IUPAC3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESO=C(O)C1C2CNCC1COC2
InChIInChI=1S/C8H13NO3/c10-8(11)7-5-1-9-2-6(7)4-12-3-5/h5-7,9H,1-4H2,(H,10,11)
InChIKeyQRJMFSHVTULZAH-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.45
Rot. Bonds1

About 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid

3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid (PubChem CID 71757780) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid.

Molecular Properties

Compound Name3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
PubChem CID71757780
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESO=C(O)C1C2CNCC1COC2
InChIInChI=1S/C8H13NO3/c10-8(11)7-5-1-9-2-6(7)4-12-3-5/h5-7,9H,1-4H2,(H,10,11)
InChIKeyQRJMFSHVTULZAH-UHFFFAOYSA-N
XLogP-0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxalic acid;bis(3-(oxetan-3-yl)azetidine)
CID 84819356
methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride
CID 118235868
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
CID 163257227
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
CID 55279783
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
CID 67231854
(3aS)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrole;oxalic acid
CID 67720271
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
CID 55253786
(1R,5R)-7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98126066
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 83816195
(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid
CID 138991561

Frequently Asked Questions

What is the IUPAC name of 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The IUPAC name of 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid (CID 71757780) is 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid.
What is the SMILES notation for 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The canonical SMILES for 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid is O=C(O)C1C2CNCC1COC2.
What is the InChIKey of 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The InChIKey is QRJMFSHVTULZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8(11)7-5-1-9-2-6(7)4-12-3-5/h5-7,9H,1-4H2,(H,10,11).
What are the key properties of 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid?
3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid is sourced from PubChem (CID 71757780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).