chempirical

tert-Butyl N-((2R)-1-hydroxypropan-2-yl)carbamate

C8H17NO3CAS 106391-86-0175.23 g/mol

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HONHOO
Alcohol

Properties

Molecular formula
C8H17NO3
Molar mass
175.23 g/mol
Exact mass
175.1208 Da
Melting point
60 °C
logP
1.10Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
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
106391-86-0
SMILES
C[C@H](CO)N=C(O)OC(C)(C)C
InChIKey
PDAFIZPRSXHMCO-ZCFIWIBFSA-N
InChI
InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1

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

Names and synonyms

21 names · show all
  • 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate
  • Carbamic acid, N-[(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (R)-
  • Carbamic acid, [(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester
  • (R)-2-(N-tert-Butoxycarbonyl)aminopropan-1-ol
  • (R)-2-(tert-Butoxycarbonylamino)-1-propanol
  • N-(tert-Butoxycarbonyl)-D-alaninol
  • ((R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester
  • (R)-2-[(tert-Butyloxycarbonyl)amino]propan-1-ol
  • (R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol
  • tert-Butyl ((1R)-2-hydroxy-1-methylethyl)carbamate
  • ((1R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester
  • tert-Butyl ((R)-1-hydroxypropan-2-yl)carbamate
  • N-((R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester
  • 1,1-Dimethylethyl ((1R)-2-hydroxy-1-methylethyl)carbamate
  • ((R)-2-Hydroxy-1-methyl-ethyl)-carbamic acid tert-butyl ester
  • Boc-D-alaninol
  • tert-Butyl N-((R)-2-hydroxy-1-methylethyl)carbamate
  • tert-Butyl ((2R)-1-hydroxypropan-2-yl)carbamate
  • (R)-N-Boc-2-aminopropan-1-ol
  • tert-Butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate

Work with tert-Butyl N-((2R)-1-hydroxypropan-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.

1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-9Enantiomer

Similar compounds

1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-066 % similar (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-862 % similar 1,1-Dimethylethyl N-[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate397246-14-959 % similar Boc-L-serine3262-72-458 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-358 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-754 % similar 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-454 % similar 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-151 % similar

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

Same formula

N-Boc-(R)-1-amino-2-propanol119768-44-4 2-Ethylhexyl nitrate27247-96-7 O-(1,1-Dimethylethyl)-L-threonine4378-13-6 (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-4 3-(Boc-amino)-1-propanol58885-58-8

Elsewhere

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