chempirical

1-Boc-D-pyroglutamic acid ethyl ester

C12H19NO5CAS 144978-35-8257.29 g/mol

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AmideCarbamateEsterLactam

Properties

Molecular formula
C12H19NO5
Molar mass
257.29 g/mol
Exact mass
257.1263 Da
logP
1.48Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
144978-35-8
SMILES
CCOC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIKey
YWWWGFSJHCFVOW-MRVPVSSYSA-N
InChI
InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1

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Work with 1-Boc-D-pyroglutamic acid ethyl ester

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

Similar compounds

1-(1,1-Dimethylethyl) 2-methyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate108963-96-872 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-566 % similar 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-062 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-253 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-352 % similar 1-(1,1-Dimethylethyl) 4-ethyl 3-oxo-1,4-piperidinedicarboxylate71233-25-550 % similar 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-550 % similar 1,1-Dimethylethyl (2R)-2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-pyrrolidinecarboxylate102185-34-245 % similar

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

Same formula

1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-1 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-pyrrolidinedicarboxylate146256-98-6 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate161491-24-3

Elsewhere

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