chempirical

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

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

Similar compounds

N-Carbobenzoxy-dl-norleucine15027-13-168 % similar Z-Tyr(bzl)-oh16677-29-560 % similar (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid17543-58-760 % similar Z-Asn(trt)-oh132388-57-959 % similar Cbz-3-(2-naphthyl)-D-alanine143218-10-459 % similar L-N-Cbz-3-N-boc-amino-alanine16947-84-557 % similar Cbz-D-valine1685-33-257 % similar Fmoc-orn(Z)-oh138775-07-257 % 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 N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-8

Elsewhere

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