6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C7H8N2O3 — CID 23346357

IUPAC6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1C(=O)N2C(C(=O)O)=CCC12
InChIInChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h2-3,5H,1,8H2,(H,11,12)
InChIKeyWGOIJCCZQLQYSY-UHFFFAOYSA-N
MW168.15 g/mol
LogP-1.10
Rot. Bonds1

About 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 23346357) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID23346357
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1C(=O)N2C(C(=O)O)=CCC12
InChIInChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h2-3,5H,1,8H2,(H,11,12)
InChIKeyWGOIJCCZQLQYSY-UHFFFAOYSA-N
XLogP-1.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 160974523
(6S,7S)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 18642423
6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 12834808
(7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 12941983
7-oxo-6-(4-oxopent-2-enyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 57265407
potassium;hydride;7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 174326654
6-amino-3-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 45116197
(7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 58430297
(6R,7S)-7-amino-3-methyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 57357645
7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
CID 77335900
7-amino-8-oxo-3-(sulfanylmethyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 87653273
benzyl 6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 12796946

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 23346357) is 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is NC1C(=O)N2C(C(=O)O)=CCC12.
What is the InChIKey of 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is WGOIJCCZQLQYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h2-3,5H,1,8H2,(H,11,12).
What are the key properties of 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 23346357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).