(2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate

C8H11NO5 — CID 91025215

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate
SMILESCOCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO5/c1-13-5-4-8(12)14-9-6(10)2-3-7(9)11/h2-3,10-11H,4-5H2,1H3
InChIKeyXFOANDLSZUGWKW-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.11
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate

(2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate (PubChem CID 91025215) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate
PubChem CID91025215
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate
SMILESCOCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO5/c1-13-5-4-8(12)14-9-6(10)2-3-7(9)11/h2-3,10-11H,4-5H2,1H3
InChIKeyXFOANDLSZUGWKW-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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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
(2,5-Dihydroxypyrrol-1-yl) 2-acetylsulfanylacetate
CID 54099864
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-bromoacetate
CID 54138195

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate (CID 91025215) is (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate is COCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate?
The InChIKey is XFOANDLSZUGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-13-5-4-8(12)14-9-6(10)2-3-7(9)11/h2-3,10-11H,4-5H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate?
(2,5-dihydroxypyrrol-1-yl) 3-methoxypropanoate 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) 3-methoxypropanoate is sourced from PubChem (CID 91025215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).