4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide

C11H17N3O4 — CID 66236911

IUPAC4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide
SMILESCN1C(=O)CCC(NC(=O)C2COCC2N)C1=O
InChIInChI=1S/C11H17N3O4/c1-14-9(15)3-2-8(11(14)17)13-10(16)6-4-18-5-7(6)12/h6-8H,2-5,12H2,1H3,(H,13,16)
InChIKeyVVTKTURETRVACE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.78
Rot. Bonds2

About 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide

4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide (PubChem CID 66236911) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide
PubChem CID66236911
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide
SMILESCN1C(=O)CCC(NC(=O)C2COCC2N)C1=O
InChIInChI=1S/C11H17N3O4/c1-14-9(15)3-2-8(11(14)17)13-10(16)6-4-18-5-7(6)12/h6-8H,2-5,12H2,1H3,(H,13,16)
InChIKeyVVTKTURETRVACE-UHFFFAOYSA-N
XLogP-1.78
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.78
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-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide (CID 66236911) is 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide is CN1C(=O)CCC(NC(=O)C2COCC2N)C1=O.
What is the InChIKey of 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide?
The InChIKey is VVTKTURETRVACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-14-9(15)3-2-8(11(14)17)13-10(16)6-4-18-5-7(6)12/h6-8H,2-5,12H2,1H3,(H,13,16).
What are the key properties of 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide?
4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66236911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).