CAS 10125-07-2 | 2,5-Piperazinedione, 3-(phenylmethyl)-, (3S)- | CAS Number 10125-07-2

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10125-07-2 | 2,5-Piperazinedione, 3-(phenylmethyl)-, (3S)-

CAS No: 10125-07-2 Catalog No: AG000426 MDL No:MFCD00190926

Product Description

Catalog Number:

AG000426

Chemical Name:

2,5-Piperazinedione, 3-(phenylmethyl)-, (3S)-

CAS Number:

10125-07-2

Molecular Formula:

C11H12N2O2

Molecular Weight:

204.2252

MDL Number:

MFCD00190926

IUPAC Name:

(3S)-3-benzylpiperazine-2,5-dione

InChI:

InChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m0/s1

InChI Key:

UZOJHXFWJFSFAI-VIFPVBQESA-N

SMILES:

O=C1NCC(=O)N[C@H]1Cc1ccccc1

Properties

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.229g/mol

Monoisotopic Mass:

204.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Linear and cyclic dipeptides with antimalarial activity.	Bioorganic & medicinal chemistry letters 20121201
Metabolites from Aspergillus fumigatus, an endophytic fungus associated with Melia azedarach, and their antifungal, antifeedant, and toxic activities.	Journal of agricultural and food chemistry 20120404
Uptake of cyclic dipeptide by PEPT1 in Caco-2 cells: phenolic hydroxyl group of substrate enhances affinity for PEPT1.	The Journal of pharmacy and pharmacology 20020901