(3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate

C31H44N4O12 — CID 160510388

IUPAC(3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate
SMILESC.CC1CC(=O)N(OC(=O)CCN2C(=O)CC(C(C)C)C2=O)C1=O.[2H]C1CC(=O)N(OC(=O)CCCN2C(=O)CC(C(C)C)C2=O)C1=O
InChIInChI=1S/2C15H20N2O6.CH4/c1-8(2)10-7-11(18)16(15(10)22)5-4-13(20)23-17-12(19)6-9(3)14(17)21;1-9(2)10-8-13(20)16(15(10)22)7-3-4-14(21)23-17-11(18)5-6-12(17)19;/h8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;1H4/i;5D;
InChIKeyQSYWNNIMCAITSD-JOYDLIADSA-N
MW665.72 g/mol
LogP1.30
Rot. Bonds11

About (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate

(3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate (PubChem CID 160510388) has the molecular formula C31H44N4O12 and a molecular weight of 665.72 g/mol. Its IUPAC name is (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Name(3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate
PubChem CID160510388
Molecular FormulaC31H44N4O12
Molecular Weight665.72 g/mol
Exact Mass665.30
IUPAC Name(3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate
SMILESC.CC1CC(=O)N(OC(=O)CCN2C(=O)CC(C(C)C)C2=O)C1=O.[2H]C1CC(=O)N(OC(=O)CCCN2C(=O)CC(C(C)C)C2=O)C1=O
InChIInChI=1S/2C15H20N2O6.CH4/c1-8(2)10-7-11(18)16(15(10)22)5-4-13(20)23-17-12(19)6-9(3)14(17)21;1-9(2)10-8-13(20)16(15(10)22)7-3-4-14(21)23-17-11(18)5-6-12(17)19;/h8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;1H4/i;5D;
InChIKeyQSYWNNIMCAITSD-JOYDLIADSA-N
XLogP1.30
TPSA202.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.72
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate with MolForge

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;4-(2,5-dioxopyrrol-1-yl)-N-methylbutanamide;methanamine;N-methyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 158310714
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) propanedioate
CID 126608619
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane
CID 144622419
1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403407
1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
1-[6-(3-methylbutoxy)-4-oxohexyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157219213
1-[4-(2,5-dioxopyrrolidin-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 58592352
1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione
CID 159184415

Frequently Asked Questions

What is the IUPAC name of (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate?
The IUPAC name of (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate (CID 160510388) is (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate?
The canonical SMILES for (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate is C.CC1CC(=O)N(OC(=O)CCN2C(=O)CC(C(C)C)C2=O)C1=O.[2H]C1CC(=O)N(OC(=O)CCCN2C(=O)CC(C(C)C)C2=O)C1=O.
What is the InChIKey of (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate?
The InChIKey is QSYWNNIMCAITSD-JOYDLIADSA-N. The full InChI is InChI=1S/2C15H20N2O6.CH4/c1-8(2)10-7-11(18)16(15(10)22)5-4-13(20)23-17-12(19)6-9(3)14(17)21;1-9(2)10-8-13(20)16(15(10)22)7-3-4-14(21)23-17-11(18)5-6-12(17)19;/h8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;1H4/i;5D;.
What are the key properties of (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate?
(3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate has a molecular weight of 665.72 g/mol, XLogP of 1.30, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 160510388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).