(5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C7H5NO4 — CID 151407509

IUPAC(5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CC(=O)[C@@H]2CC(=O)N12
InChIInChI=1S/C7H5NO4/c9-5-1-4(7(11)12)8-3(5)2-6(8)10/h1,3H,2H2,(H,11,12)/t3-/m0/s1
InChIKeyOXUUIFULWRGWPI-VKHMYHEASA-N
MW167.12 g/mol
LogP-0.86
Rot. Bonds1

About (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 151407509) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID151407509
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Name(5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CC(=O)[C@@H]2CC(=O)N12
InChIInChI=1S/C7H5NO4/c9-5-1-4(7(11)12)8-3(5)2-6(8)10/h1,3H,2H2,(H,11,12)/t3-/m0/s1
InChIKeyOXUUIFULWRGWPI-VKHMYHEASA-N
XLogP-0.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;hydride;7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 174326654
(5S)-4,4-dimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 141004342
(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydroiodide
CID 131713478
sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 173457866
4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 18546771
(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;phosphoric acid
CID 172819810
N,N-dimethylacetamide;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 160504873
(6R)-4-(2,2-difluoroethenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 70398229
1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 63033066
(6R)-4-butyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 163938661
3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 14329076
(6R)-4-(acetyloxymethyl)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 67921636

Frequently Asked Questions

What is the IUPAC name of (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 151407509) is (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is O=C(O)C1=CC(=O)[C@@H]2CC(=O)N12.
What is the InChIKey of (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is OXUUIFULWRGWPI-VKHMYHEASA-N. The full InChI is InChI=1S/C7H5NO4/c9-5-1-4(7(11)12)8-3(5)2-6(8)10/h1,3H,2H2,(H,11,12)/t3-/m0/s1.
What are the key properties of (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
(5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 167.12 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,7-dioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 151407509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).