chempirical

Boc-met(O)-oh

C10H19NO5SCAS 34805-21-5265.32 g/mol

Open in Covalent MOL file
OONHSOOHO
CarbamateCarboxylic acidSulfoxide

Properties

Molecular formula
C10H19NO5S
Molar mass
265.32 g/mol
Exact mass
265.0984 Da
logP
0.73Crippen estimate
Polar surface area
92.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
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
34805-21-5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCS(=O)C)C(=O)O
InChIKey
FVSDTYGQCVACMH-ISJKBYAMSA-N
InChI
InChI=1S/C10H19NO5S/c1-10(2,3)16-9(14)11-7(8(12)13)5-6-17(4)15/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-,17?/m0/s1

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Work with Boc-met(O)-oh

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

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

Elsewhere

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