N-Boc-(S)-2-amino-3-benzyloxy-1-propanol

C₁₅H₂₃NO₄CAS 79069-15-1281.35 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ether

Properties

Molecular formula: C₁₅H₂₃NO₄
Molar mass: 281.35 g/mol
Exact mass: 281.1627 Da
logP: 2.09Crippen estimate
Polar surface area: 67.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
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

79069-15-1

SMILES

CC(C)(C)OC(=O)N[C@@H](CO)COCC1=CC=CC=C1

InChIKey

MSIDLARYVJJEQY-ZDUSSCGKSA-N

InChI

InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m0/s1

Weigh it out

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

Work with N-Boc-(S)-2-amino-3-benzyloxy-1-propanol

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

tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-775 % similar N-Boc-DL-phenylalaninol145149-48-075 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-075 % similar Lcz696 intemediate1426129-50-167 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-867 % similar Boc-D-ser-obzl141527-78-866 % similar Boc-O-benzyl-D-threoninol168034-31-965 % similar Boc-L-phenylglycinol117049-14-662 % similar

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

Same formula

11-Maleimidoundecanoic acid57079-01-3 Cycloheximide66-81-9

Elsewhere

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