5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

C9H13NO4 — CID 54349223

IUPAC5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1c(O)ccc1O
InChIInChI=1S/C9H13NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5,11-12H,1-3,6H2,(H,13,14)
InChIKeyUEMZMNFVPFIZIO-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.15
Rot. Bonds5

About 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (PubChem CID 54349223) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
PubChem CID54349223
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1c(O)ccc1O
InChIInChI=1S/C9H13NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5,11-12H,1-3,6H2,(H,13,14)
InChIKeyUEMZMNFVPFIZIO-UHFFFAOYSA-N
XLogP1.15
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol
CID 54293191
7-(2,5-dihydroxypyrrol-1-yl)heptan-2-one
CID 91494577
5-[2-(4-carboxybutyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]pentanoic acid
CID 102274603
1-(4-bromobutyl)pyrrole-2,5-diol
CID 54510028
1-hexylpyrrole-2,5-diol
CID 54126791
6-(3,4-dibromo-2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 123154690
2-[[1-carboxy-15-(2,5-dihydroxypyrrol-1-yl)pentadecyl]disulfanyl]-16-(2,5-dihydroxypyrrol-1-yl)hexadecanoic acid
CID 91162963
5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
CID 70523740
CID 70523740
7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid
CID 67102420
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
1-undec-10-enylpyrrole-2,5-diol
CID 54078128

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (CID 54349223) is 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is O=C(O)CCCCn1c(O)ccc1O.
What is the InChIKey of 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The InChIKey is UEMZMNFVPFIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5,11-12H,1-3,6H2,(H,13,14).
What are the key properties of 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid has a molecular weight of 199.21 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 54349223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).