Boc-met(O)-oh

C10H19NO5SCAS 34805-21-5265.32 g/mol

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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.

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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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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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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