(6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C9H12N2O3 — CID 134854512

IUPAC(6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILESCNC1C(=O)N2C(C(=O)O)=CCC[C@H]12
InChIInChI=1S/C9H12N2O3/c1-10-7-5-3-2-4-6(9(13)14)11(5)8(7)12/h4-5,7,10H,2-3H2,1H3,(H,13,14)/t5-,7?/m1/s1
InChIKeyHILMLMYGCHQYTQ-FOUAAFFMSA-N
MW196.21 g/mol
LogP-0.45
Rot. Bonds2

About (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (PubChem CID 134854512) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
PubChem CID134854512
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILESCNC1C(=O)N2C(C(=O)O)=CCC[C@H]12
InChIInChI=1S/C9H12N2O3/c1-10-7-5-3-2-4-6(9(13)14)11(5)8(7)12/h4-5,7,10H,2-3H2,1H3,(H,13,14)/t5-,7?/m1/s1
InChIKeyHILMLMYGCHQYTQ-FOUAAFFMSA-N
XLogP-0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The IUPAC name of (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CID 134854512) is (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
What is the SMILES notation for (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The canonical SMILES for (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is CNC1C(=O)N2C(C(=O)O)=CCC[C@H]12.
What is the InChIKey of (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The InChIKey is HILMLMYGCHQYTQ-FOUAAFFMSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-7-5-3-2-4-6(9(13)14)11(5)8(7)12/h4-5,7,10H,2-3H2,1H3,(H,13,14)/t5-,7?/m1/s1.
What are the key properties of (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
(6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-(methylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is sourced from PubChem (CID 134854512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).