Ethyl D-(-)-pyroglutamate

C₇H₁₁NO₃CAS 68766-96-1157.17 g/mol

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Amide Ester Lactam

Properties

Molecular formula: C₇H₁₁NO₃
Molar mass: 157.17 g/mol
Exact mass: 157.0739 Da
logP: -0.17Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68766-96-1

SMILES

CCOC(=O)[C@H]1CCC(=O)N1

InChIKey

QYJOOVQLTTVTJY-RXMQYKEDSA-N

InChI

InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1

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Names and synonyms

1 names

Ethyl (2R)-5-oxopyrrolidine-2-carboxylate

Work with Ethyl D-(-)-pyroglutamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Pyroglutamic acid ethyl ester7149-65-7Enantiomer

Similar compounds

N-Butyryl-L-homoserine lactone67605-85-061 % similar tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-558 % similar Ethyl 2-piperidinecarboxylate15862-72-351 % similar Ethyl 2-piperidinecarboxylate35677-84-051 % similar Ethyl cyclopropanecarboxylate4606-07-950 % similar H-D-Pro-oet hcl131477-20-849 % similar Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-349 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-0 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-2 Butyl 2-isocyanatoacetate17046-22-9 Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-8 2-Ethoxyethyl 2-cyanoacetate32804-77-6 Ethyl 2-oxopyrrolidine-3-carboxylate36821-26-8 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4

Elsewhere

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