CAS 6404-31-5|(2R)-1-[(Benzyloxy)carbonyl]pyrrolidine-2-carboxylic acid|(2R)-Pyrrolidine-2-carboxylic acid, N-CBZ protected|D-Proline, N-CBZ protected|(2R)-1-[(benzyloxy)carbonyl]pyrrolidine-2-carbo...

General Information

Structure

Molecular Formula

C₁₃H₁₅NO₄

Molecular Mass

249.2625

Exact Mass

249.10010797

Charge

InChI

InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m1/s1

InChIKey

JXGVXCZADZNAMJ-LLVKDONJSA-N

Canonic Smiles

OC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1

Isomeric Smiles

N1([C@H](CCC1)C(=O)O)C(=O)OCc1ccccc1

Calculated Properties

JChem

Acid pKa

3.767218

H Acceptors

H Donor

LogD (pH = 5.5)

0.12270247

LogD (pH = 7.4)

-1.4205657

Log P

1.8565651

Molar Refractivity

63.8664

Polarizability

24.946846

Polar Surface Area

66.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(2R)-Pyrrolidine-2-carboxylic acid, N-CBZ protected(2R)-1-[(Benzyloxy)carbonyl]pyrrolidine-2-carboxylic acidD-Proline, N-CBZ protectedZ-D-Pro-OH(+)-Z-D-proline(+)-Z-D-脯氨酸N-苄氧羰基-D-脯氨酸N-Cbz-D-prolineN-Benzyloxycarbonyl-D-prolineZ-D-Pro-OH

IUPAC Traditional name

(2R)-1-[(benzyloxy)carbonyl]pyrrolidine-2-carboxylic acid

IUPAC name

(2R)-1-[(benzyloxy)carbonyl]pyrrolidine-2-carboxylic acid

Names and Identifiers

Registration numbers

Beilstein Number

485188

EC Number

229-021-5

MDL Number

MFCD00063228