2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide

C13H21N3O3 — CID 43637319

IUPAC2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
SMILESNC(=O)CNC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C13H21N3O3/c14-11(17)8-15-10-7-12(18)16(13(10)19)9-5-3-1-2-4-6-9/h9-10,15H,1-8H2,(H2,14,17)
InChIKeyLLMWNUDEQKGTDA-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.09
Rot. Bonds4

About 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide

2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide (PubChem CID 43637319) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
PubChem CID43637319
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
SMILESNC(=O)CNC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C13H21N3O3/c14-11(17)8-15-10-7-12(18)16(13(10)19)9-5-3-1-2-4-6-9/h9-10,15H,1-8H2,(H2,14,17)
InChIKeyLLMWNUDEQKGTDA-UHFFFAOYSA-N
XLogP-0.09
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide?
The IUPAC name of 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide (CID 43637319) is 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide is NC(=O)CNC1CC(=O)N(C2CCCCCC2)C1=O.
What is the InChIKey of 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide?
The InChIKey is LLMWNUDEQKGTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c14-11(17)8-15-10-7-12(18)16(13(10)19)9-5-3-1-2-4-6-9/h9-10,15H,1-8H2,(H2,14,17).
What are the key properties of 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide?
2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 43637319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).