(2R,3S)-Boc-3-phenylisoserine

C₁₄H₁₉NO₅CAS 145514-62-1281.31 g/mol

Open in Covalent MOL file

Alcohol Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₁₉NO₅
Molar mass: 281.31 g/mol
Exact mass: 281.1263 Da
logP: 1.70Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

145514-62-1

SMILES

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

InChIKey

ZVAFCKLQJCZGAP-WDEREUQCSA-N

InChI

InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-10(11(16)12(17)18)9-7-5-4-6-8-9/h4-8,10-11,16H,1-3H3,(H,15,19)(H,17,18)/t10-,11+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (2R,3S)-Boc-3-phenylisoserine

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

Boc-L-phenylglycinol117049-14-655 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-555 % similar Boc-D-4,4'-biphenylalanine128779-47-554 % similar Boc-D-cys(bzl)-oh102830-49-953 % similar Boc-N-beta-trityl-L-asparagine132388-68-253 % similar Boc-D-bpa-oh117666-94-151 % similar Boc-2-chloro-L-phenylalanine114873-02-850 % similar Boc-3-methyl-L-phenylalanine114873-06-249 % similar

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

Same formula

(R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-6 Boc-L-tyrosine3978-80-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook