4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione

C11H19N3O3 — CID 66073881

IUPAC4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione
SMILESCCCC(C)(N)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H19N3O3/c1-4-5-11(3,12)10(17)14-6-8(15)13-9(16)7(14)2/h7H,4-6,12H2,1-3H3,(H,13,15,16)
InChIKeyPMMYDDUPDCXCSH-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.62
Rot. Bonds3

About 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione

4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione (PubChem CID 66073881) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione
PubChem CID66073881
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione
SMILESCCCC(C)(N)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H19N3O3/c1-4-5-11(3,12)10(17)14-6-8(15)13-9(16)7(14)2/h7H,4-6,12H2,1-3H3,(H,13,15,16)
InChIKeyPMMYDDUPDCXCSH-UHFFFAOYSA-N
XLogP-0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile
CID 66074464
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylpiperazine-2,6-dione
CID 79810708
3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione
CID 80551076
2-methyl-2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)butanethioamide
CID 113270693
2-ethyl-2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)butanethioamide
CID 66074078
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076005
2,2,2-trifluoroethyl 2-methyl-3,5-dioxopiperazine-1-carboxylate
CID 66074706
4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione
CID 79207069

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione (CID 66073881) is 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione is CCCC(C)(N)C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is PMMYDDUPDCXCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-5-11(3,12)10(17)14-6-8(15)13-9(16)7(14)2/h7H,4-6,12H2,1-3H3,(H,13,15,16).
What are the key properties of 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione?
4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 241.29 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66073881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).