4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione

C10H17N3O3 — CID 66085002

IUPAC4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
SMILESCC(C)(N)CCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-10(2,11)4-3-9(16)13-5-7(14)12-8(15)6-13/h3-6,11H2,1-2H3,(H,12,14,15)
InChIKeyYDRBQNHFSYUZKW-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.01
Rot. Bonds3

About 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione

4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione (PubChem CID 66085002) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
PubChem CID66085002
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
SMILESCC(C)(N)CCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-10(2,11)4-3-9(16)13-5-7(14)12-8(15)6-13/h3-6,11H2,1-2H3,(H,12,14,15)
InChIKeyYDRBQNHFSYUZKW-UHFFFAOYSA-N
XLogP-1.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.01
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 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione (CID 66085002) is 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione is CC(C)(N)CCC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
The InChIKey is YDRBQNHFSYUZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,11)4-3-9(16)13-5-7(14)12-8(15)6-13/h3-6,11H2,1-2H3,(H,12,14,15).
What are the key properties of 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione has a molecular weight of 227.26 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione is sourced from PubChem (CID 66085002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).