(5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C10H13NO3 — CID 89433264

IUPAC(5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCC1=C(C(=O)O)N2C(=O)C(C)[C@H]2C1C
InChIInChI=1S/C10H13NO3/c1-4-5(2)8(10(13)14)11-7(4)6(3)9(11)12/h4,6-7H,1-3H3,(H,13,14)/t4?,6?,7-/m1/s1
InChIKeyVOWDXAUVKPRJNH-WXRDLOJGSA-N
MW195.22 g/mol
LogP0.84
Rot. Bonds1

About (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 89433264) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID89433264
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCC1=C(C(=O)O)N2C(=O)C(C)[C@H]2C1C
InChIInChI=1S/C10H13NO3/c1-4-5(2)8(10(13)14)11-7(4)6(3)9(11)12/h4,6-7H,1-3H3,(H,13,14)/t4?,6?,7-/m1/s1
InChIKeyVOWDXAUVKPRJNH-WXRDLOJGSA-N
XLogP0.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 89433264) is (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is CC1=C(C(=O)O)N2C(=O)C(C)[C@H]2C1C.
What is the InChIKey of (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is VOWDXAUVKPRJNH-WXRDLOJGSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-5(2)8(10(13)14)11-7(4)6(3)9(11)12/h4,6-7H,1-3H3,(H,13,14)/t4?,6?,7-/m1/s1.
What are the key properties of (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
(5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,4,6-trimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 89433264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).