(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate

C13H13NO6 — CID 91318802

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate
SMILESO=C(CCOc1ccc(O)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H13NO6/c15-9-1-3-10(4-2-9)19-8-7-13(18)20-14-11(16)5-6-12(14)17/h1-6,15-17H,7-8H2
InChIKeyIUWGDXGBCJCKHU-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.03
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate

(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate (PubChem CID 91318802) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate
PubChem CID91318802
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate
SMILESO=C(CCOc1ccc(O)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H13NO6/c15-9-1-3-10(4-2-9)19-8-7-13(18)20-14-11(16)5-6-12(14)17/h1-6,15-17H,7-8H2
InChIKeyIUWGDXGBCJCKHU-UHFFFAOYSA-N
XLogP1.03
TPSA101.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 4-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]butanoate
CID 91419436
bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
(2,5-dihydroxypyrrol-1-yl) 4-[4-[[4-[4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutoxy]phenyl]-hydroxy-thiophen-2-ylmethyl]phenoxy]butanoate
CID 91104692
5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
CID 91419311
(2,5-dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
(2,5-dihydroxypyrrol-1-yl) 3-(2-hydroxyethyliminomethoxy)propanoate
CID 123528431
(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate
CID 123934425
(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate
CID 54352633
(2,5-dihydroxypyrrol-1-yl) 2-cyanoacetate
CID 54124320

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate (CID 91318802) is (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate is O=C(CCOc1ccc(O)cc1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate?
The InChIKey is IUWGDXGBCJCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c15-9-1-3-10(4-2-9)19-8-7-13(18)20-14-11(16)5-6-12(14)17/h1-6,15-17H,7-8H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate has a molecular weight of 279.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 91318802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).