5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid

C9H11NO6 — CID 54518514

IUPAC5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H11NO6/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyYOCDWHAYTAEPFF-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.11
Rot. Bonds5

About 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid

5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid (PubChem CID 54518514) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
PubChem CID54518514
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Name5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H11NO6/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyYOCDWHAYTAEPFF-UHFFFAOYSA-N
XLogP0.11
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
(2,5-dihydroxypyrrol-1-yl) 5-bromopentanoate
CID 91257177
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
CID 91419311
(2,5-dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220
7-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl heptanedioate
CID 123764437
16-(2,5-dihydroxypyrrol-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 123338833
(2,5-dihydroxypyrrol-1-yl) 11-methylsulfanylundecanoate
CID 90732127
(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate
CID 91221904
(2,5-dihydroxypyrrol-1-yl) oct-6-ynoate
CID 123686776
(2,5-dihydroxypyrrol-1-yl) 6-acetamidohexanoate
CID 91128975
(2,5-dihydroxypyrrol-1-yl) tetracos-15-enoate
CID 91123132
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid?
The IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid (CID 54518514) is 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid?
The canonical SMILES for 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid is O=C(O)CCCC(=O)On1c(O)ccc1O.
What is the InChIKey of 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid?
The InChIKey is YOCDWHAYTAEPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14/h4-5,11-12H,1-3H2,(H,13,14).
What are the key properties of 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid?
5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid has a molecular weight of 229.19 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid is sourced from PubChem (CID 54518514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).