Z-D-Pyr-oh

C13H13NO5CAS 78339-57-8263.25 g/mol

Open in Covalent MOL file
ONOOHOO
AmideCarbamateCarboxylic acidLactam

Properties

Molecular formula
C13H13NO5
Molar mass
263.25 g/mol
Exact mass
263.0794 Da
logP
1.40Crippen estimate
Polar surface area
83.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
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
78339-57-8
SMILES
C1CC(=O)N([C@H]1C(=O)O)C(=O)OCC2=CC=CC=C2
InChIKey
VHSFUGXCSGOKJX-SNVBAGLBSA-N
InChI
InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Z-D-Pyr-oh

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.

1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-0Enantiomer

Similar compounds

(2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-864 % similar Benzyloxycarbonyl-L-proline1148-11-461 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-561 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-660 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-860 % similar 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-260 % similar Cbz-N-methyl-L-phenylalanine2899-07-258 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-F]indolizine-3,6,10(4H)-trione110351-94-5 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-4 γ-Benzyl L-glutamate N-carboxyanhydride3190-71-4 N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook