(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C23H33N3O11 — CID 90726768

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)CNCCOCCOCCOCCOCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C23H33N3O11/c27-18(5-8-25-19(28)1-2-20(25)29)17-24-7-10-34-12-14-36-16-15-35-13-11-33-9-6-23(32)37-26-21(30)3-4-22(26)31/h1-4,24,30-31H,5-17H2
InChIKeyXCBCYAFGOURTIF-UHFFFAOYSA-N
MW527.53 g/mol
LogP-1.22
Rot. Bonds21

About (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 90726768) has the molecular formula C23H33N3O11 and a molecular weight of 527.53 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID90726768
Molecular FormulaC23H33N3O11
Molecular Weight527.53 g/mol
Exact Mass527.21
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)CNCCOCCOCCOCCOCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C23H33N3O11/c27-18(5-8-25-19(28)1-2-20(25)29)17-24-7-10-34-12-14-36-16-15-35-13-11-33-9-6-23(32)37-26-21(30)3-4-22(26)31/h1-4,24,30-31H,5-17H2
InChIKeyXCBCYAFGOURTIF-UHFFFAOYSA-N
XLogP-1.22
TPSA175.09 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.53
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 90726768) is (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is O=C(CCN1C(=O)C=CC1=O)CNCCOCCOCCOCCOCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is XCBCYAFGOURTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O11/c27-18(5-8-25-19(28)1-2-20(25)29)17-24-7-10-34-12-14-36-16-15-35-13-11-33-9-6-23(32)37-26-21(30)3-4-22(26)31/h1-4,24,30-31H,5-17H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-[2-[2-[2-[2-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 527.53 g/mol, XLogP of -1.22, 21 rotatable bonds, 3 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-[[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 90726768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).