1-Methyl-5-oxoproline ethyl ester

HCID 566562

Notes Reactions

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Basic information

CAS: 108645-70-1
Standard SMILES: CCOC(=O)C1CCC(=O)N1C
InChIKey: DZFNDYLXIIGIJV-UHFFFAOYSA-N
Molecular formula: C8H13NO3
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.08954328

Names & identifiers

Preferred name: 1-Methyl-5-oxoproline ethyl ester
IUPAC: ethyl 1-methyl-5-oxopyrrolidine-2-carboxylate

Names & synonyms

1-Methyl-5-oxoproline ethyl ester108645-70-1RefChem:231946ethyl 1-methyl-5-oxoprolinateethyl 1-methyl-5-oxopyrrolidine-2-carboxylateSCHEMBL2575328Pyrrolid-2-one-5-carboxylic acid, N-methyl-, ethyl esterDZFNDYLXIIGIJV-UHFFFAOYSA-NDTXSID001300378Ethyl 1-methyl-5-oxo-2-pyrrolidinecarboxylate #

Database identifiers

CAS: 108645-70-1
PubChem CID: 566562
DTXSID: DTXSID001300378
Nikkaji: J2.846.741I

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 202

Related reactions

2 records

New reaction record

HRID 2132588As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2348134As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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