2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid

C6H9NO3 — CID 22224992

IUPAC2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
SMILESO=C(O)N1CC2CC1CO2
InChIInChI=1S/C6H9NO3/c8-6(9)7-2-5-1-4(7)3-10-5/h4-5H,1-3H2,(H,8,9)
InChIKeyVGMHMYUFRKBDIS-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.14
Rot. Bonds

About 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid

2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid (PubChem CID 22224992) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
PubChem CID22224992
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
SMILESO=C(O)N1CC2CC1CO2
InChIInChI=1S/C6H9NO3/c8-6(9)7-2-5-1-4(7)3-10-5/h4-5H,1-3H2,(H,8,9)
InChIKeyVGMHMYUFRKBDIS-UHFFFAOYSA-N
XLogP0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid (CID 22224992) is 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid is O=C(O)N1CC2CC1CO2.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
The InChIKey is VGMHMYUFRKBDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-6(9)7-2-5-1-4(7)3-10-5/h4-5H,1-3H2,(H,8,9).
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid is sourced from PubChem (CID 22224992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).