1H-Pyrrolizine-2-carboxylic acid, hexahydro-1,5-dioxo-, ethyl ester

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Basic information

CAS: 41563-77-3
Standard SMILES: CCOC(=O)C1CN2C(=O)CCC2C1=O
InChIKey: MCKQIGDYFHJFAX-UHFFFAOYSA-N
Molecular formula: C10H13NO4
Average molar mass: 211.21 g/mol
Monoisotopic mass: 211.0844579

Names & identifiers

Preferred name: 1H-Pyrrolizine-2-carboxylic acid, hexahydro-1,5-dioxo-, ethyl ester
IUPAC: ethyl 1,5-dioxo-3,6,7,8-tetrahydro-2H-pyrrolizine-2-carboxylate

Names & synonyms

41563-77-3NSC6076141H-Pyrrolizine-2-carboxylic acid, hexahydro-1,5-dioxo-, ethyl esterethyl 1,5-dioxohexahydro-1H-pyrrolizine-2-carboxylateDTXSID20326653NSC-607614

Database identifiers

CAS: 41563-77-3
PubChem CID: 354899
DTXSID: DTXSID20326653

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 63.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 325

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Compound notes

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