2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide

C15H22N6O6 — CID 70391643

IUPAC2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide
SMILESCCN1CCN(C(=O)NC(CC(=O)NC)C(=O)NC2CNC2=O)C(=O)C1=O
InChIInChI=1S/C15H22N6O6/c1-3-20-4-5-21(14(26)13(20)25)15(27)19-8(6-10(22)16-2)12(24)18-9-7-17-11(9)23/h8-9H,3-7H2,1-2H3,(H,16,22)(H,17,23)(H,18,24)(H,19,27)
InChIKeyGMUSNXSMRVFJND-UHFFFAOYSA-N
MW382.38 g/mol
LogP-3.49
Rot. Bonds6

About 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide

2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide (PubChem CID 70391643) has the molecular formula C15H22N6O6 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide.

Molecular Properties

Compound Name2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide
PubChem CID70391643
Molecular FormulaC15H22N6O6
Molecular Weight382.38 g/mol
Exact Mass382.16
IUPAC Name2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide
SMILESCCN1CCN(C(=O)NC(CC(=O)NC)C(=O)NC2CNC2=O)C(=O)C1=O
InChIInChI=1S/C15H22N6O6/c1-3-20-4-5-21(14(26)13(20)25)15(27)19-8(6-10(22)16-2)12(24)18-9-7-17-11(9)23/h8-9H,3-7H2,1-2H3,(H,16,22)(H,17,23)(H,18,24)(H,19,27)
InChIKeyGMUSNXSMRVFJND-UHFFFAOYSA-N
XLogP-3.49
TPSA157.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 5-3.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide?
The IUPAC name of 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide (CID 70391643) is 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide.
What is the SMILES notation for 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide?
The canonical SMILES for 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide is CCN1CCN(C(=O)NC(CC(=O)NC)C(=O)NC2CNC2=O)C(=O)C1=O.
What is the InChIKey of 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide?
The InChIKey is GMUSNXSMRVFJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O6/c1-3-20-4-5-21(14(26)13(20)25)15(27)19-8(6-10(22)16-2)12(24)18-9-7-17-11(9)23/h8-9H,3-7H2,1-2H3,(H,16,22)(H,17,23)(H,18,24)(H,19,27).
What are the key properties of 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide?
2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide has a molecular weight of 382.38 g/mol, XLogP of -3.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N'-methyl-N-(2-oxoazetidin-3-yl)butanediamide is sourced from PubChem (CID 70391643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).