(S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate

C₁₀H₁₉NO₃CAS 116613-81-1201.27 g/mol

Open in Covalent MOL file

Alcohol Alkene Carbamate

Properties

Molecular formula: C₁₀H₁₉NO₃
Molar mass: 201.27 g/mol
Exact mass: 201.1365 Da
logP: 1.45Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

116613-81-1

SMILES

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

InChIKey

ABDSMVSRKFOYMR-QMMMGPOBSA-N

InChI

InChI=1S/C10H19NO3/c1-5-6-8(7-12)11-9(13)14-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13)/t8-/m0/s1

Weigh it out

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

Names and synonyms

1 names

tert-Butyl (s)-(1-hydroxypent-4-en-2-yl)carbamate

Work with (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate

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-butanediol128427-10-163 % similar Boc-D-leucinol106930-51-262 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-757 % similar Boc-D-valinol106391-87-153 % similar Boc-trans-4-aminocyclohexanol111300-06-251 % similar N-Boc-L-cyclohexylglycinol107202-39-150 % similar N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol106946-74-149 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-249 % similar

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

Same formula

4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-2 tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-6 Capryloylglycine14246-53-8 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-8 tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook