4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione

C12H19N3O4 — CID 66264196

IUPAC4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C(=O)N2CC(=O)NC(=O)C2(C)C)COCC1N
InChIInChI=1S/C12H19N3O4/c1-11(2)9(17)14-8(16)4-15(11)10(18)12(3)6-19-5-7(12)13/h7H,4-6,13H2,1-3H3,(H,14,16,17)
InChIKeyANFXIKSNNRNULX-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.39
Rot. Bonds1

About 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione

4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66264196) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66264196
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C(=O)N2CC(=O)NC(=O)C2(C)C)COCC1N
InChIInChI=1S/C12H19N3O4/c1-11(2)9(17)14-8(16)4-15(11)10(18)12(3)6-19-5-7(12)13/h7H,4-6,13H2,1-3H3,(H,14,16,17)
InChIKeyANFXIKSNNRNULX-UHFFFAOYSA-N
XLogP-1.39
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66264196) is 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C(=O)N2CC(=O)NC(=O)C2(C)C)COCC1N.
What is the InChIKey of 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is ANFXIKSNNRNULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-11(2)9(17)14-8(16)4-15(11)10(18)12(3)6-19-5-7(12)13/h7H,4-6,13H2,1-3H3,(H,14,16,17).
What are the key properties of 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 269.30 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methyloxolane-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66264196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).