CAS 4326-36-7|methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate|methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate|Boc-Tyr-OMe|Boc-L-酪氨酸甲酯|Boc-L-t...

General Information

Structure

Molecular Formula

C₁₅H₂₁NO₅

Molecular Mass

295.33094

Exact Mass

295.14197278

Charge

InChI

InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1

InChIKey

NQIFXJSLCUJHBB-LBPRGKRZSA-N

Canonic Smiles

COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OC(C)(C)C

Isomeric Smiles

C(=O)([C@H](Cc1ccc(cc1)O)NC(=O)OC(C)(C)C)OC

Calculated Properties

JChem

Acid pKa

9.503845

H Acceptors

H Donor

LogD (pH = 5.5)

2.4119983

LogD (pH = 7.4)

2.4086552

Log P

2.4120412

Molar Refractivity

76.7393

Polarizability

30.215832

Polar Surface Area

84.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate

Synonyms

Boc-Tyr-OMeBoc-L-酪氨酸甲酯Boc-Tyr-OMeBoc-L-tyrosine methyl esterN-(叔丁氧羰基)-L-酪氨酸甲酯N-(tert-Butoxycarbonyl)-L-tyrosine methyl esterBoc-Tyr-OMeN-Boc-L-酪氨酸甲酯N-Boc-L-tyrosine methyl estermethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoateN-tert-Butoxycarbonyl-L-tyrosine methyl ester

IUPAC name

methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID