6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

HCID 162CAS 3115-55-7

Basic information

Standard SMILES
CC1(C)SC2C(N)C(=O)N2C1C(=O)O
InChIKey
NGHVIOIJCVXTGV-UHFFFAOYSA-N
Molecular formula
C8H12N2O3S
Average molar mass
216.26 g/mol
Monoisotopic mass
216.05686324

Names & identifiers

Preferred name
6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
IUPAC
6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Names & synonyms

6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3115-55-76-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidRefChem:3070884-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-6-aminopenicillansaure6-AminopenicillinsaeureOxacillin Impurity 30SCHEMBL178253orb3029366DTXSID00859479PDK0270
Show more names
HMS5087H14ALBB-024974NSC50071BBL016490CCG-34863EBC-14642s5035STK249745

Database identifiers

CAS
3115-55-7、551-16-6
PubChem CID
162
DTXSID
DTXSID00859479
Nikkaji
J931.575F

Properties

Computed structural properties

XLogP
-2.1
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
14

Related reactions

17 records

Linked notes

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