(2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate

C8H11NO5 — CID 54193832

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate
SMILESCCOCC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO5/c1-2-13-5-8(12)14-9-6(10)3-4-7(9)11/h3-4,10-11H,2,5H2,1H3
InChIKeyPKJMNCGTHNIOQN-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.11
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate

(2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate (PubChem CID 54193832) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate
PubChem CID54193832
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate
SMILESCCOCC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO5/c1-2-13-5-8(12)14-9-6(10)3-4-7(9)11/h3-4,10-11H,2,5H2,1H3
InChIKeyPKJMNCGTHNIOQN-UHFFFAOYSA-N
XLogP-0.11
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate (CID 54193832) is (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate is CCOCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate?
The InChIKey is PKJMNCGTHNIOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-2-13-5-8(12)14-9-6(10)3-4-7(9)11/h3-4,10-11H,2,5H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate?
(2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate has a molecular weight of 201.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-ethoxyacetate is sourced from PubChem (CID 54193832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).