3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide

C20H26N4O10 — CID 71236047

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H26N4O10/c25-11(9-21-13(27)5-7-23-15(29)1-2-16(23)30)19(33)20(34)12(26)10-22-14(28)6-8-24-17(31)3-4-18(24)32/h1-4,11-12,19-20,25-26,33-34H,5-10H2,(H,21,27)(H,22,28)/t11-,12-,19-,20-/m1/s1
InChIKeyWAGADUJHLUQUAI-IIBDXVJDSA-N
MW482.45 g/mol
LogP-4.71
Rot. Bonds13

About 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide (PubChem CID 71236047) has the molecular formula C20H26N4O10 and a molecular weight of 482.45 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide
PubChem CID71236047
Molecular FormulaC20H26N4O10
Molecular Weight482.45 g/mol
Exact Mass482.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H26N4O10/c25-11(9-21-13(27)5-7-23-15(29)1-2-16(23)30)19(33)20(34)12(26)10-22-14(28)6-8-24-17(31)3-4-18(24)32/h1-4,11-12,19-20,25-26,33-34H,5-10H2,(H,21,27)(H,22,28)/t11-,12-,19-,20-/m1/s1
InChIKeyWAGADUJHLUQUAI-IIBDXVJDSA-N
XLogP-4.71
TPSA213.88 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 5-4.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide (CID 71236047) is 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide?
The InChIKey is WAGADUJHLUQUAI-IIBDXVJDSA-N. The full InChI is InChI=1S/C20H26N4O10/c25-11(9-21-13(27)5-7-23-15(29)1-2-16(23)30)19(33)20(34)12(26)10-22-14(28)6-8-24-17(31)3-4-18(24)32/h1-4,11-12,19-20,25-26,33-34H,5-10H2,(H,21,27)(H,22,28)/t11-,12-,19-,20-/m1/s1.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide has a molecular weight of 482.45 g/mol, XLogP of -4.71, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[(2R,3R,4R,5R)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,3,4,5-tetrahydroxyhexyl]propanamide is sourced from PubChem (CID 71236047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).