chempirical

tert-Butyl ((2R,3R)-3-(benzyloxy)-1-hydroxybutan-2-yl)carbamate

C16H25NO4CAS 133565-43-2295.38 g/mol

Open in Covalent MOL file
OOHNHOO
AlcoholCarbamateEther

Properties

Molecular formula
C16H25NO4
Molar mass
295.38 g/mol
Exact mass
295.1784 Da
logP
2.68Crippen estimate
Polar surface area
71.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
R, Rin 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
133565-43-2
SMILES
C[C@@H](OCc1ccccc1)[C@@H](CO)N=C(O)OC(C)(C)C
InChIKey
RXDBGDZAKNELGW-TZMCWYRMSA-N
InChI
InChI=1S/C16H25NO4/c1-12(20-11-13-8-6-5-7-9-13)14(10-18)17-15(19)21-16(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,17,19)/t12-,14-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]carbamate
  • Carbamic acid, N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
  • Carbamic acid, [(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethyl ester
  • [(1R,2R)-2-Benzyloxy-1-(hydroxymethyl)propyl]carbamic acid tert-butyl ester
  • tert-Butyl [(2R,3R)-3-(benzyloxy)-1-hydroxybutan-2-yl]carbamate

Work with tert-Butyl ((2R,3R)-3-(benzyloxy)-1-hydroxybutan-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-O-benzyl-D-threoninol168034-31-9Enantiomer

Similar compounds

N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-366 % similar 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-963 % similar (2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane98737-29-258 % similar (2R,3S)-3-(tert-Butoxycarbonylamino)-1,2-epoxy-4-phenylbutane98760-08-858 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-756 % similar 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-055 % similar tert-Butyl ((2S,3R)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate160232-08-653 % similar 1,1-Dimethylethyl N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate162536-40-552 % similar

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

Same formula

N-Phenylaza-15-crown-566750-10-5 Esmolol81147-92-4

Elsewhere

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