N-tert-Butyloxycarbonylcysteine

C8H15NO4SCAS 20887-95-0221.27 g/mol

Open in Covalent MOL file
OONHSHOOH
CarbamateCarboxylic acidThiol

Properties

Molecular formula
C8H15NO4S
Molar mass
221.27 g/mol
Exact mass
221.0722 Da
logP
0.89Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Stereocentres
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
20887-95-0
SMILES
CC(C)(C)OC(=O)N[C@@H](CS)C(=O)O
InChIKey
ATVFTGTXIUDKIZ-YFKPBYRVSA-N
InChI
InChI=1S/C8H15NO4S/c1-8(2,3)13-7(12)9-5(4-14)6(10)11/h5,14H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Boc-cys-oh

Work with N-tert-Butyloxycarbonylcysteine

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-abu-oh45121-22-071 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-469 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-069 % similar Boc-ser(me)-oh51293-47-169 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-569 % similar Boc-D-nva-oh57521-85-469 % similar Boc-D-aspartic acid62396-48-969 % similar Boc-dap-oh73259-81-169 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook