chempirical

Z-Ala-ome

C12H15NO4CAS 28819-05-8237.25 g/mol

Open in Covalent MOL file
OONHOO
CarbamateEster

Properties

Molecular formula
C12H15NO4
Molar mass
237.25 g/mol
Exact mass
237.1001 Da
logP
1.47Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
28819-05-8
SMILES
C[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1
InChIKey
OMDVFTVXPVXANK-VIFPVBQESA-N
InChI
InChI=1S/C12H15NO4/c1-9(11(14)16-2)13-12(15)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)/t9-/m0/s1

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Work with Z-Ala-ome

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-Cbz-D-alanine26607-51-266 % similar O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester1872-59-962 % similar (S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-459 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-855 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-755 % similar (2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid3160-47-254 % similar Z-Ser(tos)-ome1492-52-053 % similar Cbz-D-valine1685-33-253 % similar

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

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

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