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

C8H17NO3CAS 106391-86-0175.23 g/mol

Open in Covalent MOL file
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

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 (R)-(+)-2-(BOC-Amino)-1,4-butanediol397246-14-959 % 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 (2S,3R)-2-Amino-3-(tert-butoxy)butanoic acid4378-13-6 (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-4 3-(Boc-amino)-1-propanol58885-58-8

Elsewhere

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