chempirical

1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

C13H19NO3CAS 102089-74-7237.30 g/mol

Open in Covalent MOL file
OONHHO
Alcohol

Properties

Molecular formula
C13H19NO3
Molar mass
237.30 g/mol
Exact mass
237.1365 Da
Melting point
137–138.5 °C
logP
2.45Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
102089-74-7
SMILES
CC(C)(C)OC(O)=N[C@@H](CO)c1ccccc1
InChIKey
IBDIOGYTZBKRGI-NSHDSACASA-N
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m0/s1

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

Names and synonyms

11 names
  • Carbamic acid, N-[(1R)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, (2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester, (R)-
  • Carbamic acid, [(1R)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester
  • (R)-2-[(N-tert-Butoxycarbonyl)amino]-2-phenylethanol
  • N-BOC-(R)-phenylglycinol
  • (R)-1,1-Dimethylethyl (2-hydroxy-1-phenylethyl)carbamate
  • N-Boc-D-phenylglycinol
  • (R)-N-(tert-Butoxycarbonyl)-2-phenylglycinol
  • tert-Butyl ((1R)-2-hydroxy-1-phenylethyl)carbamate
  • tert-Butyl [(1R)-2-hydroxy-1-phenylethyl]carbamate
  • (R)-tert-Butyl (2-hydroxy-1-phenylethyl)carbamate

Work with 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]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)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-976 % similar β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-868 % similar 1,1-Dimethylethyl N-[(1R)-2-[(methylsulfonyl)oxy]-1-phenylethyl]carbamate102089-75-863 % similar 1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]carbamate133565-43-256 % similar Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-255 % similar β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid284493-59-054 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate106391-86-054 % similar 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-954 % similar

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

Same formula

Boc-L-phenylglycinol117049-14-6 L-Tyrosine 1,1-dimethylethyl ester16874-12-7 O-tert-Butyl-L-tyrosine18822-59-8

Elsewhere

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