L-5-oxoproline methyl ester

HCID 566571

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C1CCC(=O)N1C
InChIKey: ABAOXDQXQHQRFA-UHFFFAOYSA-N
Molecular formula: C7H11NO3
Average molar mass: 157.17 g/mol

Names & identifiers

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

Names & synonyms

methyl 1-methyl-5-oxopyrrolidine-2-carboxylateRefChem:151753Methyl 1-methyl-5-oxopyrrolidine-2-carboxylic acidL-5-oxoproline methyl ester190783-99-41-METHYL-5-OXO-PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER1-Methyl-5-oxoproline methyl esterMFCD12026428METHYL 1-METHYL-5-OXOPROLINATEProline, 1-methyl-5-oxo-, methyl ester (9CI)SCHEMBL2577900ABAOXDQXQHQRFA-UHFFFAOYSA-N

Show more names

ALBB-014305SBA43588AKOS005167146CS-W001488MB11513SB74650AS-40320SY084682

Database identifiers

PubChem CID: 566571
Nikkaji: J417.450J

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 190

Related reactions

2 records

New reaction record

HRID 305595As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1219130As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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