CAS 55533-24-9|(2S)-3-(4-aminophenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid|(2S)-3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid|4-Amino-L-phenylalanine, N-BOC protected|Boc-...

General Information

Structure

Molecular Formula

C₁₄H₂₀N₂O₄

Molecular Mass

280.3196

Exact Mass

280.14230713

Charge

InChI

InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

InChIKey

NDMVQEZKACRLDP-NSHDSACASA-N

Canonic Smiles

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

Isomeric Smiles

c1(ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N

Calculated Properties

JChem

Acid pKa

3.8121645

H Acceptors

H Donor

LogD (pH = 5.5)

0.3272305

LogD (pH = 7.4)

-1.3449813

Log P

1.1127387

Molar Refractivity

74.6897

Polarizability

28.65538

Polar Surface Area

101.65

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-3-(4-aminophenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid

IUPAC name

(2S)-3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

Synonyms

4-Amino-L-phenylalanine, N-BOC protectedBoc-4-amino-L-phenylalanineBoc-Phe(4-NH2)-OHBoc-4-氨基-L-苯丙氨酸4-Amino-N-Boc-L-phenylalanine4-氨基-N-Boc-L-苯基丙氨酸(S)-3-(4-Aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acidBoc-4-amino-L-phenylalanineBoc-Phe(4-NH2)-OH

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Registration numbers

Properties