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

C10H19NO3CAS 116613-81-1201.27 g/mol

Open in Covalent MOL file
OONHOH
AlcoholAlkeneCarbamate

Properties

Molecular formula
C10H19NO3
Molar mass
201.27 g/mol
Exact mass
201.1365 Da
logP
1.45Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
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
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

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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 Boc-L-leucinol82010-31-962 % similar Boc-D-allylglycine170899-08-861 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pent-4-enoic acid90600-20-761 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-460 % similar N-1-Boc-amino-3-cyclopentene193751-54-159 % similar Boc-met-ol51372-93-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-2 tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-6 tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-2 Capryloylglycine14246-53-8 (R)-1-Boc-3-hydroxypiperidine143900-43-0 (S)-1-Boc-3-hydroxypiperidine143900-44-1 tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-0 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-8

Elsewhere

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