3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

HCID 2172

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)C1C(=CCO)OC2CC(=O)N21
InChIKey: HZZVJAQRINQKSD-UHFFFAOYSA-N
Molecular formula: C8H9NO5
Average molar mass: 199.16 g/mol
Monoisotopic mass: 199.04807239

Names & identifiers

Preferred name: 3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
IUPAC: 3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Names & synonyms

3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateRefChem:273735SCHEMBL2497054MB01537

Database identifiers

PubChem CID: 2172

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 324

Related reactions

5 records

New reaction record

HRID 160568As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179848As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 289140As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1149024As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2140818As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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