(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C22H33N3O11 — CID 91336663

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESO=C(CCn1c(O)ccc1O)NCCOCCOCCOCCOCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C22H33N3O11/c26-17(5-8-24-18(27)1-2-19(24)28)23-7-10-33-12-14-35-16-15-34-13-11-32-9-6-22(31)36-25-20(29)3-4-21(25)30/h1-4,27-30H,5-16H2,(H,23,26)
InChIKeyAHWCLCIYWCUYAU-UHFFFAOYSA-N
MW515.52 g/mol
LogP-0.27
Rot. Bonds19

About (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 91336663) has the molecular formula C22H33N3O11 and a molecular weight of 515.52 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID91336663
Molecular FormulaC22H33N3O11
Molecular Weight515.52 g/mol
Exact Mass515.21
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESO=C(CCn1c(O)ccc1O)NCCOCCOCCOCCOCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C22H33N3O11/c26-17(5-8-24-18(27)1-2-19(24)28)23-7-10-33-12-14-35-16-15-34-13-11-32-9-6-22(31)36-25-20(29)3-4-21(25)30/h1-4,27-30H,5-16H2,(H,23,26)
InChIKeyAHWCLCIYWCUYAU-UHFFFAOYSA-N
XLogP-0.27
TPSA183.10 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.52
LogP ≤ 5-0.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 91336663) is (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is O=C(CCn1c(O)ccc1O)NCCOCCOCCOCCOCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is AHWCLCIYWCUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O11/c26-17(5-8-24-18(27)1-2-19(24)28)23-7-10-33-12-14-35-16-15-34-13-11-32-9-6-22(31)36-25-20(29)3-4-21(25)30/h1-4,27-30H,5-16H2,(H,23,26).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 515.52 g/mol, XLogP of -0.27, 19 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 91336663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).