CAS 13734-34-4|N-α-t-BOC-L-PHENYLALANINE|(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid|(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid|N-(叔丁氧羰基)-L-苯基丙氨酸|Boc...

General Information

Structure

Molecular Formula

C₁₄H₁₉NO₄

Molecular Mass

265.30496

Exact Mass

265.13140809

Charge

InChI

InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1

InChIKey

ZYJPUMXJBDHSIF-NSHDSACASA-N

Canonic Smiles

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

Isomeric Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O

Calculated Properties

JChem

Acid pKa

4.0592823

H Acceptors

H Donor

LogD (pH = 5.5)

1.1170568

LogD (pH = 7.4)

-0.5543741

Log P

2.5697124

Molar Refractivity

69.9893

Polarizability

27.498814

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-α-t-BOC-L-PHENYLALANINEN-(叔丁氧羰基)-L-苯基丙氨酸Boc-L-phenylalanineBoc-Phe-OHN-(tert-Butoxycarbonyl)-L-phenylalanineBoc-L-苯丙氨酸tert-Butoxycarbonyl-L-phenylalanineN-[(1,1-dimethylethoxy)carbonyl]-L-Phenylalanine(2S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropionic AcidN-Boc-L-phenylalanine

IUPAC name

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid

IUPAC Traditional name

(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid

Names and Identifiers

Registration numbers

CAS Number

13734-34-4

EC Number

237-305-5

PubChem SID

1620886182484947624848166