Boc-met-ol

C₁₀H₂₁NO₃SCAS 51372-93-1235.34 g/mol

Open in Covalent MOL file

Alcohol Carbamate Sulfide

Properties

Molecular formula: C₁₀H₂₁NO₃S
Molar mass: 235.34 g/mol
Exact mass: 235.1242 Da
logP: 1.63Crippen estimate
Polar surface area: 58.6 Å²
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

51372-93-1

SMILES

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

InChIKey

IPIBDQMAIDPJBU-QMMMGPOBSA-N

InChI

InChI=1S/C10H21NO3S/c1-10(2,3)14-9(13)11-8(7-12)5-6-15-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1

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Names and synonyms

1 names

Boc-L-methioninol

Work with Boc-met-ol

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

(S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-170 % similar tert-Butoxycarbonyl-L-methionine93000-03-462 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-462 % similar Boc-D-leucinol106930-51-260 % similar Boc-L-leucinol82010-31-960 % similar tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-060 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-158 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-755 % similar

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

Elsewhere

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