(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide

C14H16N2O3 — CID 155213164

IUPAC(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyXVSYJYYNUSOPAQ-SNVBAGLBSA-N
MW260.29 g/mol
LogP0.84
Rot. Bonds4

About (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide

(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 155213164) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID155213164
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyXVSYJYYNUSOPAQ-SNVBAGLBSA-N
XLogP0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 155213164) is (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide is C[C@H](C(=O)NCc1ccccc1)N1C(=O)CCC1=O.
What is the InChIKey of (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is XVSYJYYNUSOPAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 260.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 155213164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).