tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate
Properties
- Molecular formula
- C14H19NO3
- Molar mass
- 249.31 g/mol
- Exact mass
- 249.1365 Da
- logP
- 2.32Crippen estimate
- Polar surface area
- 55.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
- 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
72155-45-4SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C=OInChIKey
ZJTYRNPLVNMVPQ-LBPRGKRZSA-NInChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- N-Boc-L-phenylalaninal
Work with tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate
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.
Similar compounds
tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-763 % similar
N-Boc-DL-phenylalaninol145149-48-063 % similar
tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-063 % similar
Boc-dl-phe-oh4530-18-160 % similar
(S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-659 % similar
Boc-phe-ome51987-73-659 % similar
Boc-leucinal58521-45-258 % similar
Lcz696 intemediate1426129-50-157 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds