chempirical

N-Cbz-D-alanine

C11H13NO4CAS 26607-51-2223.23 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
logP
1.39Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
26607-51-2
SMILES
C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
TYRGLVWXHJRKMT-MRVPVSSYSA-N
InChI
InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1

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Work with N-Cbz-D-alanine

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

Cbz-D-valine1685-33-272 % similar N-Cbz-D-leucine28862-79-569 % similar Z-Ala-ome28819-05-866 % similar N-Carbobenzoxy-dl-norleucine15027-13-163 % similar Z-Dl-asparagine29880-22-662 % similar (2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid3160-47-261 % similar Z-D-Gln-oh13139-52-159 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-659 % similar

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

Same formula

Benzyloxycarbonyl-L-alanine1142-20-7 N-Benzyloxycarbonylglycine methyl ester1212-53-9 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-4 H-D-Asp(obzl)-oh13188-89-1 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1

Elsewhere

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