tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate

C₁₄H₂₁NO₃CAS 66605-57-0251.33 g/mol

Open in Covalent MOL file

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: 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

66605-57-0

SMILES

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

InChIKey

LDKDMDVMMCXTMO-LBPRGKRZSA-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-/m0/s1

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Names and synonyms

1 names

N-Boc-L-phenylalaninol

Work with tert-Butyl N-[(2S)-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

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.

tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-7Enantiomer N-Boc-DL-phenylalaninol145149-48-0Stereo not defined

Similar compounds

Lcz696 intemediate1426129-50-188 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-175 % similar (S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-671 % similar Boc-L-phenylglycinol117049-14-666 % similar Boc-dl-phe-oh4530-18-165 % similar Cbz-D-phenylalaninol58917-85-465 % similar (S)-Cbz-phenylalaninol6372-14-165 % similar Boc-D-tryptophanol158932-00-465 % 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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