4,4-dimethoxypyrrolidine-1,2-dicarboxamide

C8H15N3O4 — CID 141098654

IUPAC4,4-dimethoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1(OC)CC(C(N)=O)N(C(N)=O)C1
InChIInChI=1S/C8H15N3O4/c1-14-8(15-2)3-5(6(9)12)11(4-8)7(10)13/h5H,3-4H2,1-2H3,(H2,9,12)(H2,10,13)
InChIKeyHLBFYRJXWZHMMA-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.39
Rot. Bonds3

About 4,4-dimethoxypyrrolidine-1,2-dicarboxamide

4,4-dimethoxypyrrolidine-1,2-dicarboxamide (PubChem CID 141098654) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4,4-dimethoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4,4-dimethoxypyrrolidine-1,2-dicarboxamide
PubChem CID141098654
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name4,4-dimethoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1(OC)CC(C(N)=O)N(C(N)=O)C1
InChIInChI=1S/C8H15N3O4/c1-14-8(15-2)3-5(6(9)12)11(4-8)7(10)13/h5H,3-4H2,1-2H3,(H2,9,12)(H2,10,13)
InChIKeyHLBFYRJXWZHMMA-UHFFFAOYSA-N
XLogP-1.39
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4,4-dimethoxypyrrolidine-1,2-dicarboxamide (CID 141098654) is 4,4-dimethoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4,4-dimethoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4,4-dimethoxypyrrolidine-1,2-dicarboxamide is COC1(OC)CC(C(N)=O)N(C(N)=O)C1.
What is the InChIKey of 4,4-dimethoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is HLBFYRJXWZHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-14-8(15-2)3-5(6(9)12)11(4-8)7(10)13/h5H,3-4H2,1-2H3,(H2,9,12)(H2,10,13).
What are the key properties of 4,4-dimethoxypyrrolidine-1,2-dicarboxamide?
4,4-dimethoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 217.22 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 141098654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).