(2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate

C11H18N2O6 — CID 90819401

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate
SMILESCNCCOCCOCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H18N2O6/c1-12-4-5-17-6-7-18-8-11(16)19-13-9(14)2-3-10(13)15/h2-3,12,14-15H,4-8H2,1H3
InChIKeyRTLPOINVMKRGRK-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.89
Rot. Bonds9

About (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate (PubChem CID 90819401) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate
PubChem CID90819401
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate
SMILESCNCCOCCOCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H18N2O6/c1-12-4-5-17-6-7-18-8-11(16)19-13-9(14)2-3-10(13)15/h2-3,12,14-15H,4-8H2,1H3
InChIKeyRTLPOINVMKRGRK-UHFFFAOYSA-N
XLogP-0.89
TPSA102.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Acetyl 2-(2,5-dihydroxypyrrol-1-yl)oxyacetate
CID 57240830
[2-(2,5-Dihydroxypyrrol-1-yl)oxy-2-oxoethyl] 2-formyloxyacetate
CID 91548805
2-Acetyloxy-2-(2,5-dihydroxypyrrol-1-yl)acetic acid
CID 53657203
(2,5-Dihydroxypyrrol-1-yl) 2-aminoacetate
CID 53728945
(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-methylbutanoate
CID 53772197
(2,5-Dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetate
CID 53809895
(2,5-Dihydroxypyrrol-1-yl) 2-methoxypropanoate
CID 53828897
Ethyl 2-[2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 53899641
(2,5-Dihydroxypyrrol-1-yl) 2-acetamidoacetate
CID 53922588
3-(2,5-Dihydroxypyrrol-1-yl)-2-methoxypropanoic acid
CID 54096059
(2,5-Dihydroxypyrrol-1-yl) 2-methoxyacetate
CID 54098301
(2,5-Dihydroxypyrrol-1-yl) 2-ethoxyacetate
CID 54193832

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate (CID 90819401) is (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate is CNCCOCCOCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate?
The InChIKey is RTLPOINVMKRGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-12-4-5-17-6-7-18-8-11(16)19-13-9(14)2-3-10(13)15/h2-3,12,14-15H,4-8H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate has a molecular weight of 274.27 g/mol, XLogP of -0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[2-[2-(methylamino)ethoxy]ethoxy]acetate is sourced from PubChem (CID 90819401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).