3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid

C14H21NO5 — CID 66250096

IUPAC3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(C2COCC2(C)C(=O)O)C1=O
InChIInChI=1S/C14H21NO5/c1-8(2)13(3)5-10(16)15(11(13)17)9-6-20-7-14(9,4)12(18)19/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyFKKFUHUCBXBXDX-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.90
Rot. Bonds3

About 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid

3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid (PubChem CID 66250096) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid
PubChem CID66250096
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(C2COCC2(C)C(=O)O)C1=O
InChIInChI=1S/C14H21NO5/c1-8(2)13(3)5-10(16)15(11(13)17)9-6-20-7-14(9,4)12(18)19/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyFKKFUHUCBXBXDX-UHFFFAOYSA-N
XLogP0.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid (CID 66250096) is 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid is CC(C)C1(C)CC(=O)N(C2COCC2(C)C(=O)O)C1=O.
What is the InChIKey of 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid?
The InChIKey is FKKFUHUCBXBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-8(2)13(3)5-10(16)15(11(13)17)9-6-20-7-14(9,4)12(18)19/h8-9H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid?
3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 66250096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).