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

C14H19NO5CAS 145514-62-1281.31 g/mol

Open in Covalent MOL file
OONHOOHHO
AlcoholCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
S, Rin 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
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-D-phenylglycine33125-05-270 % similar tert-Butoxycarbonylamino-phenyl-acetic acid3601-66-970 % similar Boc-L-3,3-diphenylalanine138662-63-266 % similar Boc-dl-phe-oh4530-18-158 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-858 % similar Boc-L-homophenylalanine100564-78-157 % similar Boc-D-homophenylalanine82732-07-857 % similar Boc-L-phenylglycinol117049-14-655 % 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 Boc-D-tyr-oh70642-86-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook