CAS 71989-31-6|(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid|Fmoc-Pro-OH|(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid|N-α-FMOC-L-PROLINE|N-(9...

General Information

Structure

Molecular Formula

C₂₀H₁₉NO₄

Molecular Mass

337.36916

Exact Mass

337.13140809

Charge

InChI

InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m0/s1

InChIKey

ZPGDWQNBZYOZTI-SFHVURJKSA-N

Canonic Smiles

OC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

N1([C@@H](CCC1)C(=O)O)C(=O)OCC1c2ccccc2c2ccccc12

Calculated Properties

JChem

Acid pKa

3.754516

H Acceptors

H Donor

LogD (pH = 5.5)

1.5718478

LogD (pH = 7.4)

0.03530121

Log P

3.3179827

Molar Refractivity

92.2662

Polarizability

36.9484

Polar Surface Area

66.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

IUPAC Traditional name

(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

Synonyms

Fmoc-Pro-OHN-α-FMOC-L-PROLINEN-(9-Fluorenylmethoxycarbonyl)-L-prolineFmoc-Pro-OHN-(9-芴甲氧羰基)-L-脯氨酸Fmoc-L-脯氨酸Fmoc-Pro-OHFmoc-L-proline(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acidN-Fmoc-L-脯氨酸N-Fmoc-L-proline

Names and Identifiers

Registration numbers

MDL Number

Beilstein Number

EC Number

CAS Number

PubChem CID