7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HCID 40957

Basic information

Standard SMILES
NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12
InChIKey
OQSAFIZCBAZPMY-UHFFFAOYSA-N
Molecular formula
C7H7ClN2O3S
Average molar mass
234.66 g/mol

Names & identifiers

Preferred name
7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Names & synonyms

7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid108260-01-17-Amino-3-chloro-8-oxo-5-thia-1-aza-bicyclo-[4.2.0]oct-2-ene-2-carboxylic acidSCHEMBL11423570OQSAFIZCBAZPMY-UHFFFAOYSA-NCCG-24153MFCD03650764STK177337AKOS000714838SB67388LS-13268PD199367
Show more names
DB-071767EU-0082953NS00003189ST50024170(6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid7-amino-3-chloro-6-oxo-2H,7H,7aH-azetidino[2,1-b]1,3-thiazine-4-carboxylic aci d7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid

Database identifiers

PubChem CID
40957
Nikkaji
J3.652.116C

Properties

Computed structural properties

XLogP
-2.8
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
14

Related reactions

4 records

Linked notes

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