3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C11H15NO5 — CID 135345105

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2C(C(=O)O)C2C1=O
InChIInChI=1S/C11H15NO5/c1-11(2,3)17-10(16)12-4-5-6(8(12)13)7(5)9(14)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyGFAQPRVNEJIEQI-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.71
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 135345105) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID135345105
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2C(C(=O)O)C2C1=O
InChIInChI=1S/C11H15NO5/c1-11(2,3)17-10(16)12-4-5-6(8(12)13)7(5)9(14)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyGFAQPRVNEJIEQI-UHFFFAOYSA-N
XLogP0.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 135345105) is 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is CC(C)(C)OC(=O)N1CC2C(C(=O)O)C2C1=O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is GFAQPRVNEJIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(2,3)17-10(16)12-4-5-6(8(12)13)7(5)9(14)15/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 135345105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).