Boc-ala-obzl

C₁₅H₂₁NO₄CAS 51814-54-1279.34 g/mol

Open in Covalent MOL file

Carbamate Ester

Properties

Molecular formula: C₁₅H₂₁NO₄
Molar mass: 279.34 g/mol
Exact mass: 279.1471 Da
logP: 2.64Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: Sin 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

51814-54-1

SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChIKey

KZNCFIIFMFCSHL-NSHDSACASA-N

InChI

InChI=1S/C15H21NO4/c1-11(16-14(18)20-15(2,3)4)13(17)19-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)/t11-/m0/s1

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Names and synonyms

1 names

BOC-L-Alanine benzyl ester

Work with Boc-ala-obzl

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-Boc-3-iodo-L-alanine benzyl ester108957-20-669 % similar Boc-D-ser-obzl141527-78-869 % similar Z-Ala-ome28819-05-864 % similar Boc-tyr-obzl19391-35-663 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-363 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-457 % similar Boc-phe-ome51987-73-657 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-157 % similar

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

Same formula

Boc-L-homophenylalanine100564-78-1 (3R)-3-(((tert-Butoxy)carbonyl)amino)-4-phenylbutanoic acid101555-61-7 Boc-L-2-methylphenylalanine114873-05-1 Boc-3-methyl-L-phenylalanine114873-06-2 (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-2 N,N-Bis(2-hydroxyethyl)-3-methylaniline diacetate21615-36-1 N-Cbz-N-methyl-L-leucine33099-08-0 Boc-N-methyl-L-phenylalanine37553-65-4

Elsewhere

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