tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate

C₁₄H₂₁NO₃CAS 106454-69-7251.33 g/mol

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Alcohol Carbamate

Properties

Molecular formula: C₁₄H₂₁NO₃
Molar mass: 251.33 g/mol
Exact mass: 251.1521 Da
logP: 2.11Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

106454-69-7

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CO

InChIKey

LDKDMDVMMCXTMO-GFCCVEGCSA-N

InChI

InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1

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Names and synonyms

1 names

N-Boc-D-phenylalaninol

Work with tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-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

Similar compounds

Boc-L-phenylglycinol117049-14-666 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-160 % similar Fmoc-phenylalaninol129397-83-760 % similar Boc-D-leucinol106930-51-259 % similar Boc-L-homophenylalanine100564-78-157 % similar Boc-D-4,4'-biphenylalanine128779-47-557 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-157 % similar (S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine131852-53-456 % similar

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

Same formula

1-(2-Nitrophenoxy)octane37682-29-4 2,6-Di-tert-butyl-4-nitrophenol728-40-5

Elsewhere

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