3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C10H13NO3 — CID 115009819

IUPAC3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1C2CN(C3CCC3)C(=O)C21
InChIInChI=1S/C10H13NO3/c12-9-7-6(8(7)10(13)14)4-11(9)5-2-1-3-5/h5-8H,1-4H2,(H,13,14)
InChIKeyCZJDVSFLQOJVJB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.33
Rot. Bonds2

About 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 115009819) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID115009819
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1C2CN(C3CCC3)C(=O)C21
InChIInChI=1S/C10H13NO3/c12-9-7-6(8(7)10(13)14)4-11(9)5-2-1-3-5/h5-8H,1-4H2,(H,13,14)
InChIKeyCZJDVSFLQOJVJB-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 115009819) is 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is O=C(O)C1C2CN(C3CCC3)C(=O)C21.
What is the InChIKey of 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is CZJDVSFLQOJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9-7-6(8(7)10(13)14)4-11(9)5-2-1-3-5/h5-8H,1-4H2,(H,13,14).
What are the key properties of 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 115009819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).