chempirical

1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]carbamate

C16H25NO4CAS 133565-43-2295.38 g/mol

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OOHNHOO
AlcoholEther

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

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

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Names and synonyms

5 names
  • 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 1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]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

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 1,1-Dimethylethyl N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]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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