CAS 66605-57-0|Boc-L-phenylalaninol|tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate|tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate|(S)-2-(Boc-amino)-3-phenyl-1-propanol|Boc-L-...

General Information

Structure

Molecular Formula

C₁₄H₂₁NO₃

Molecular Mass

251.32144

Exact Mass

251.15214354

Charge

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

InChIKey

LDKDMDVMMCXTMO-LBPRGKRZSA-N

Canonic Smiles

OC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

Isomeric Smiles

C([C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)O

Calculated Properties

JChem

Acid pKa

14.370082

H Acceptors

H Donor

LogD (pH = 5.5)

2.2494378

LogD (pH = 7.4)

2.2494378

Log P

2.2494378

Molar Refractivity

70.1219

Polarizability

27.580263

Polar Surface Area

58.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Boc-L-phenylalaninol(S)-(-)-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol(S)-2-(Boc-amino)-3-phenyl-1-propanolBoc-L-phenylalaninolN-(叔丁氧羰基)-L-苯丙氨醇N-(tert-Butoxycarbonyl)-L-phenylalaninol(S)-(-)-2-(叔丁氧羰基氨基)-3-苯基-1-丙醇(S)-2-(Boc-氨基)-3-苯基-1-丙醇Boc-L-苯丙氨醇N-Boc-L-phenylalaninol(2S)-N-tert-Butoxycarbonyl-1-hydroxy-3-phenyl-2-propanaminetert-Butyl [(1S)-1-Benzyl-2-hydroxyethyl]carbamateN-[(1S)-1-(Hydroxymethyl)-2-phenylethyl]carbamic Acid 1,1-Dimethylethyl Ester

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD00076976

CAS Number

66605-57-0

Beilstein Number

3652004