(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

C32H45N7O12 — CID 158310714

IUPAC(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
SMILESCN.CNC(=O)CCCN1C(=O)C=CC1=O.CNC(=O)CCCN1C(=O)CC(C)C1=O.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O6.C10H16N2O3.C9H12N2O3.CH5N/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;1-7-6-9(14)12(10(7)15)5-3-4-8(13)11-2;1-10-7(12)3-2-6-11-8(13)4-5-9(11)14;1-2/h3-4H,1-2,5-7H2;7H,3-6H2,1-2H3,(H,11,13);4-5H,2-3,6H2,1H3,(H,10,12);2H2,1H3
InChIKeyGNQLRGVUFQZUPS-UHFFFAOYSA-N
MW719.75 g/mol
LogP-1.78
Rot. Bonds13

About (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

(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 (PubChem CID 158310714) has the molecular formula C32H45N7O12 and a molecular weight of 719.75 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158310714
Molecular FormulaC32H45N7O12
Molecular Weight719.75 g/mol
Exact Mass719.31
IUPAC Name(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
SMILESCN.CNC(=O)CCCN1C(=O)C=CC1=O.CNC(=O)CCCN1C(=O)CC(C)C1=O.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O6.C10H16N2O3.C9H12N2O3.CH5N/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;1-7-6-9(14)12(10(7)15)5-3-4-8(13)11-2;1-10-7(12)3-2-6-11-8(13)4-5-9(11)14;1-2/h3-4H,1-2,5-7H2;7H,3-6H2,1-2H3,(H,11,13);4-5H,2-3,6H2,1H3,(H,10,12);2H2,1H3
InChIKeyGNQLRGVUFQZUPS-UHFFFAOYSA-N
XLogP-1.78
TPSA260.04 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.75
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) propanedioate
CID 126608619
sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 165073312
11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane
CID 158726437
(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
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
(2,5-dioxopyrrolidin-1-yl) 5-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]pentanoate
CID 20779685
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane
CID 144622419
CID 157142258
CID 157142258
[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2,5-dioxopyrrolidin-1-yl] 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 165024040
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoate
CID 175170577

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN.CNC(=O)CCCN1C(=O)C=CC1=O.CNC(=O)CCCN1C(=O)CC(C)C1=O.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (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?
The InChIKey is GNQLRGVUFQZUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6.C10H16N2O3.C9H12N2O3.CH5N/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;1-7-6-9(14)12(10(7)15)5-3-4-8(13)11-2;1-10-7(12)3-2-6-11-8(13)4-5-9(11)14;1-2/h3-4H,1-2,5-7H2;7H,3-6H2,1-2H3,(H,11,13);4-5H,2-3,6H2,1H3,(H,10,12);2H2,1H3.
What are the key properties of (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?
(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 has a molecular weight of 719.75 g/mol, XLogP of -1.78, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158310714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).