CAS 898289-65-1|1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(prop-2-en-1-yloxy)carbonyl]piperazine-2-carboxylic acid|1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(prop-2-en-1-yloxy)carbonyl]piperazine-2-carb...

General Information

Structure

Molecular Formula

C₂₄H₂₄N₂O₆

Molecular Mass

436.45716

Exact Mass

436.1634365

Charge

InChI

InChI=1S/C24H24N2O6/c1-2-13-31-23(29)25-11-12-26(21(14-25)22(27)28)24(30)32-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,20-21H,1,11-15H2,(H,27,28)

InChIKey

HQKQHTTWUFGNQG-UHFFFAOYSA-N

Canonic Smiles

C=CCOC(=O)N1CCN(C(C1)C(=O)O)C(=O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

N1(C(=O)OCC2c3c(cccc3)c3c2cccc3)CCN(CC1C(=O)O)C(=O)OCC=C

Calculated Properties

JChem

Acid pKa

3.6872663

H Acceptors

H Donor

LogD (pH = 5.5)

1.5256318

LogD (pH = 7.4)

0.026181335

Log P

3.33674

Molar Refractivity

115.8328

Polarizability

45.98787

Polar Surface Area

96.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(prop-2-en-1-yloxy)carbonyl]piperazine-2-carboxylic acid

IUPAC Traditional name

1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(prop-2-en-1-yloxy)carbonyl]piperazine-2-carboxylic acid

Synonyms

4-[(Allyloxy)carbonyl]piperazine-2-carboxylic acid, N1-FMOC protected 97%4-Allyl 1-(9-H-fluoren-9-ylmethyl) hydrogen piperazine-1,2,4-tricarboxylate4-allyl 1-(9-H-fluoren-9-ylmethyl) hydrogen piperazine-1,2,4-tricarboxylate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties