(S)-(-)-2-(Boc-amino)-1,4-butanediol

C₉H₁₉NO₄CAS 128427-10-1205.25 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₉H₁₉NO₄
Molar mass: 205.25 g/mol
Exact mass: 205.1314 Da
logP: 0.25Crippen estimate
Polar surface area: 78.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

128427-10-1

SMILES

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

InChIKey

KLRRFBSWOIUAHZ-ZETCQYMHSA-N

InChI

InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-7(6-12)4-5-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m0/s1

Weigh it out

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

Work with (S)-(-)-2-(Boc-amino)-1,4-butanediol

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-leucinol106930-51-267 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-163 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-760 % similar Boc-trans-4-aminocyclohexanol111300-06-259 % similar Boc-D-valinol106391-87-157 % similar N-Boc-L-cyclohexylglycinol107202-39-157 % similar exo-3-Boc-aminotropane132234-68-556 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-955 % similar

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

Same formula

N-Boc-diethanolamine103898-11-9 2-(2-Boc-aminoethoxy)ethanol139115-91-6 Panthenol16485-10-2 1,1-Dimethylethyl N-[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate397246-14-9 (+)-Panthenol81-13-0

Elsewhere

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