chempirical

Boc-L-phenylglycinol

C13H19NO3CAS 117049-14-6237.30 g/mol

Open in Covalent MOL file
OONHHO
AlcoholCarbamate

Properties

Molecular formula
C13H19NO3
Molar mass
237.30 g/mol
Exact mass
237.1365 Da
logP
2.24Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin 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
117049-14-6
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C1=CC=CC=C1
InChIKey
IBDIOGYTZBKRGI-LLVKDONJSA-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-/m1/s1

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Names and synonyms

1 names
  • (S)-2-((N-tert-Butoxycarbonyl)amino)-2-phenylethanol

Work with Boc-L-phenylglycinol

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-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-7Enantiomer

Similar compounds

N-Boc-beta-phenyl-L-phenylalaninol155836-47-872 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-570 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-270 % similar (S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-068 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-766 % similar N-Boc-DL-phenylalaninol145149-48-066 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-066 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-162 % similar

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

Same formula

L-Tyrosine 1,1-dimethylethyl ester16874-12-7 H-D-Tyr(tbu)-oh186698-58-8 O-tert-Butyl-L-tyrosine18822-59-8 N-Boc-tyramine64318-28-1

Elsewhere

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