(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine

C47H63N11O19 — CID 169430079

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine
SMILESCCN.CCN.CCNC(=O)CCN1C(=O)C=CC1=O.CCNC(=O)CCN1C(=O)C=CC1=O.CCNC(=O)CN1C(=O)C=CC1=O.O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O6.2C9H12N2O3.C8H10N2O3.C7H7NO4.2C2H7N/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;2*1-2-10-7(12)5-6-11-8(13)3-4-9(11)14;1-2-9-6(11)5-10-7(12)3-4-8(10)13;9-5-1-2-6(10)8(5)4-3-7(11)12;2*1-2-3/h1-2H,3-5H2;2*3-4H,2,5-6H2,1H3,(H,10,12);3-4H,2,5H2,1H3,(H,9,11);1-2H,3-4H2,(H,11,12);2*2-3H2,1H3
InChIKeySZOJJISHISQJAF-UHFFFAOYSA-N
MW1086.08 g/mol
LogP-4.24
Rot. Bonds17

About (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine

(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine (PubChem CID 169430079) has the molecular formula C47H63N11O19 and a molecular weight of 1086.08 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine
PubChem CID169430079
Molecular FormulaC47H63N11O19
Molecular Weight1086.08 g/mol
Exact Mass1085.43
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine
SMILESCCN.CCN.CCNC(=O)CCN1C(=O)C=CC1=O.CCNC(=O)CCN1C(=O)C=CC1=O.CCNC(=O)CN1C(=O)C=CC1=O.O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O6.2C9H12N2O3.C8H10N2O3.C7H7NO4.2C2H7N/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;2*1-2-10-7(12)5-6-11-8(13)3-4-9(11)14;1-2-9-6(11)5-10-7(12)3-4-8(10)13;9-5-1-2-6(10)8(5)4-3-7(11)12;2*1-2-3/h1-2H,3-5H2;2*3-4H,2,5-6H2,1H3,(H,10,12);3-4H,2,5H2,1H3,(H,9,11);1-2H,3-4H2,(H,11,12);2*2-3H2,1H3
InChIKeySZOJJISHISQJAF-UHFFFAOYSA-N
XLogP-4.24
TPSA427.22 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.08
LogP ≤ 5-4.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine (CID 169430079) is (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine is CCN.CCN.CCNC(=O)CCN1C(=O)C=CC1=O.CCNC(=O)CCN1C(=O)C=CC1=O.CCNC(=O)CN1C(=O)C=CC1=O.O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(O)CCN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine?
The InChIKey is SZOJJISHISQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O6.2C9H12N2O3.C8H10N2O3.C7H7NO4.2C2H7N/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;2*1-2-10-7(12)5-6-11-8(13)3-4-9(11)14;1-2-9-6(11)5-10-7(12)3-4-8(10)13;9-5-1-2-6(10)8(5)4-3-7(11)12;2*1-2-3/h1-2H,3-5H2;2*3-4H,2,5-6H2,1H3,(H,10,12);3-4H,2,5H2,1H3,(H,9,11);1-2H,3-4H2,(H,11,12);2*2-3H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine?
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine has a molecular weight of 1086.08 g/mol, XLogP of -4.24, 17 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide;bis(3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide);3-(2,5-dioxopyrrol-1-yl)propanoic acid;ethanamine is sourced from PubChem (CID 169430079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).