7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Properties
- Molecular formula
- C8H10N2O3S
- Molar mass
- 214.24 g/mol
- Exact mass
- 214.0412 Da
- logP
- -0.41Crippen estimate
- Polar surface area
- 83.6 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 1
Identifiers
CAS number
26395-99-3SMILES
CC1=C(C(=O)O)N2C(=O)C(N)C2SC1InChIKey
NVIAYEIXYQCDAN-UHFFFAOYSA-NInChI
InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-
Work with 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Similar compounds
(6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid53994-69-767 % similar
(6R,7R)-7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid15690-38-765 % similar
(6R,7R)-7-Amino-8-oxo-3-(1-propen-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid120709-09-364 % similar
(6R,7R)-7-Amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid24701-69-763 % similar
7-Aca957-68-663 % similar
(6R,7R)-7-Amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid79349-82-962 % similar
Cephalexin15686-71-254 % similar
7-Amino-3-cephem-4-carboxylic acid36923-17-853 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds