(5r,6s)-6-[(1r)-1-Hydroxyethyl]-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

HCID 195697

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Basic information

CAS: 132015-03-3
Standard SMILES: CC1=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)O)[C@H]2O1
InChIKey: NIPBXCSEIQAANF-TWOGKDBTSA-N
Molecular formula: C9H11NO5
Average molar mass: 213.19 g/mol
Monoisotopic mass: 213.06372245

Names & identifiers

Preferred name: (5r,6s)-6-[(1r)-1-Hydroxyethyl]-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Names & synonyms

(5r,6s)-6-[(1r)-1-hydroxyethyl]-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acidDTXSID409275056-(1-hydroxyethyl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Database identifiers

CAS: 132015-03-3
PubChem CID: 195697
DTXSID: DTXSID40927505

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 375

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