chempirical

1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate

C10H21NO3CAS 79069-14-0203.28 g/mol

Open in Covalent MOL file
HONHOO
Alcohol

Properties

Molecular formula
C10H21NO3
Molar mass
203.28 g/mol
Exact mass
203.1521 Da
logP
1.73Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
79069-14-0
SMILES
CC(C)[C@@H](CO)N=C(O)OC(C)(C)C
InChIKey
OOQRRYDVICNJGC-MRVPVSSYSA-N
InChI
InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1

Weigh it out

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

Names and synonyms

12 names
  • Carbamic acid, [1-(hydroxymethyl)-2-methylpropyl]-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 1,1-dimethylethyl ester
  • (1S)-N-(tert-Butoxycarbonyl)-1-isopropyl-2-hydroxyethylamine
  • N-tert-Butoxycarbonyl-L-valinol
  • N-tert-Butoxycarbonylo-(S)-valinol
  • tert-Butyloxycarbonyl-(S)-valinol
  • (S)-(-)-2-(tert-Butoxycarbonylamino)-3-methyl-1-butanol
  • (2S)-2-[(tert-Butyloxycarbonyl)amino]-3-methylbutan-1-ol
  • tert-Butyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate
  • N-Boc-(S)-valinol
  • (S)-tert-Butyl 1-hydroxy-3-methylbutan-2-ylcarbamate

Work with 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]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

1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate106391-86-066 % similar 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-966 % similar 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-960 % similar 1,1-Dimethylethyl N-[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate397246-14-956 % similar 1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]carbamate133565-43-255 % similar Boc-L-serine3262-72-455 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-355 % similar Boc-L-valine13734-41-353 % similar

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

Same formula

Boc-D-valinol106391-87-1 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-4

Elsewhere

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