3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid

C11H16N2O4 — CID 102785778

IUPAC3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CC(=O)N(C)C2=O)C1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-6-3-4-13(9(6)11(16)17)7-5-8(14)12(2)10(7)15/h6-7,9H,3-5H2,1-2H3,(H,16,17)
InChIKeySUPYKONWKLZEML-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.46
Rot. Bonds2

About 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid

3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 102785778) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID102785778
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CC(=O)N(C)C2=O)C1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-6-3-4-13(9(6)11(16)17)7-5-8(14)12(2)10(7)15/h6-7,9H,3-5H2,1-2H3,(H,16,17)
InChIKeySUPYKONWKLZEML-UHFFFAOYSA-N
XLogP-0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358153
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid
CID 102786845
3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358243
tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 107358215
1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786617
(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
CID 67458673
1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786918
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 102786262
1-(4-methoxycyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787227
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565254
2-[1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidin-3-yl]acetic acid
CID 62688735
3-(3,4-dihydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358283

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid (CID 102785778) is 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid is CC1CCN(C2CC(=O)N(C)C2=O)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SUPYKONWKLZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-3-4-13(9(6)11(16)17)7-5-8(14)12(2)10(7)15/h6-7,9H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).