Z-D-Gln-oh

C13H16N2O5CAS 13139-52-1280.28 g/mol

Open in Covalent MOL file
OOHNONH2OHO
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C13H16N2O5
Molar mass
280.28 g/mol
Exact mass
280.1059 Da
logP
0.63Crippen estimate
Polar surface area
118.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
13139-52-1
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CCC(=O)N)C(=O)O
InChIKey
JIMLDJNLXLMGLX-SNVBAGLBSA-N
InChI
InChI=1S/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m1/s1

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Names and synonyms

1 names
  • N-Cbz-D-glutamine

Work with Z-D-Gln-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.

N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-8Enantiomer

Similar compounds

Z-Dl-asparagine29880-22-678 % similar Z-D-Glu-oh63648-73-777 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-671 % similar Z-D-Nva-oh42918-89-871 % similar Z-D-Glu(ome)-oh27025-24-771 % similar Z-Glu(ome)-oh4652-65-771 % similar Z-D-Lys-oh70671-54-470 % similar N-Cbz-D-serine6081-61-468 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Aspartyl-L-phenylalanine13433-09-5 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester152628-01-8

Elsewhere

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