(2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate

C12H18N2O6 — CID 139501781

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate
SMILESCOC(C)N(CCC(=O)ON1C(=O)CCC1=O)C(C)=O
InChIInChI=1S/C12H18N2O6/c1-8(15)13(9(2)19-3)7-6-12(18)20-14-10(16)4-5-11(14)17/h9H,4-7H2,1-3H3
InChIKeyGYGRVHRWQCQRSI-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.18
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate (PubChem CID 139501781) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate
PubChem CID139501781
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate
SMILESCOC(C)N(CCC(=O)ON1C(=O)CCC1=O)C(C)=O
InChIInChI=1S/C12H18N2O6/c1-8(15)13(9(2)19-3)7-6-12(18)20-14-10(16)4-5-11(14)17/h9H,4-7H2,1-3H3
InChIKeyGYGRVHRWQCQRSI-UHFFFAOYSA-N
XLogP-0.18
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate
CID 146671025
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetate
CID 176908443

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate (CID 139501781) is (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate is COC(C)N(CCC(=O)ON1C(=O)CCC1=O)C(C)=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate?
The InChIKey is GYGRVHRWQCQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-8(15)13(9(2)19-3)7-6-12(18)20-14-10(16)4-5-11(14)17/h9H,4-7H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate has a molecular weight of 286.28 g/mol, XLogP of -0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[acetyl(1-methoxyethyl)amino]propanoate is sourced from PubChem (CID 139501781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).