CAS 1142-20-7|(2S)-2-{[(benzyloxy)carbonyl]amino}propanoic acid|(2S)-2-{[(benzyloxy)carbonyl]amino}propanoic acid|N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE|N-[(Benzyloxy)carbonyl]-L-alanine|Z-Ala-OH|...

General Information

Structure

Molecular Formula

C₁₁H₁₃NO₄

Molecular Mass

223.22522

Exact Mass

223.0844579

Charge

InChI

InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1

InChIKey

TYRGLVWXHJRKMT-QMMMGPOBSA-N

Canonic Smiles

C[C@@H](C(=O)O)NC(=O)OCc1ccccc1

Isomeric Smiles

OC(=O)[C@H](C)NC(=O)OCc1ccccc1

Calculated Properties

JChem

Acid pKa

3.7509434

H Acceptors

H Donor

LogD (pH = 5.5)

-0.16568692

LogD (pH = 7.4)

-1.7003267

Log P

1.5838995

Molar Refractivity

56.1773

Polarizability

22.001354

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

1.03

LOG S

-2.24

Solubility (Water)

1.28e+00 g/l

Data Source

Names and Identifiers

IUPAC name

(2S)-2-{[(benzyloxy)carbonyl]amino}propanoic acid

IUPAC Traditional name

(2S)-2-{[(benzyloxy)carbonyl]amino}propanoic acid

Synonyms

N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONEN-[(Benzyloxy)carbonyl]-L-alanineZ-Ala-OHZ-Ala-OHZ-L-丙氨酸Z-L-alanineN-Carbobenzyloxy-L-alanineZ-L-Alanine苄氧羰基-L-丙氨酸Z-L-丙氨酸Carbobenzyloxy-L-alanineN-苄氧羰基-L-丙胺酸N-Benzyloxycarbonyl-L-alanineN-Cbz-L-alanine

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

Beilstein Number

PubChem CID