6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid

C10H15NO4 — CID 123209377

IUPAC6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid
SMILESO=C(O)CCCCCc1cc(O)[nH]c1O
InChIInChI=1S/C10H15NO4/c12-8-6-7(10(15)11-8)4-2-1-3-5-9(13)14/h6,11-12,15H,1-5H2,(H,13,14)
InChIKeyRDTPQWSYWGTMMA-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.61
Rot. Bonds6

About 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid

6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid (PubChem CID 123209377) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid
PubChem CID123209377
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid
SMILESO=C(O)CCCCCc1cc(O)[nH]c1O
InChIInChI=1S/C10H15NO4/c12-8-6-7(10(15)11-8)4-2-1-3-5-9(13)14/h6,11-12,15H,1-5H2,(H,13,14)
InChIKeyRDTPQWSYWGTMMA-UHFFFAOYSA-N
XLogP1.61
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(3-oxocyclopropen-1-yl)undecanoic acid
CID 10243288
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
6-(2,5-dibromothiophen-3-yl)hexanoic acid
CID 43446944
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
9-(3,4,5-trihydroxyphenyl)nonanoic acid
CID 162392807
6-(4-fluorophenyl)hexanoic acid
CID 14739735
17-(3,4,5-trihydroxyphenyl)heptadecanoic acid
CID 162392819
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid?
The IUPAC name of 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid (CID 123209377) is 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid.
What is the SMILES notation for 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid?
The canonical SMILES for 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid is O=C(O)CCCCCc1cc(O)[nH]c1O.
What is the InChIKey of 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid?
The InChIKey is RDTPQWSYWGTMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-8-6-7(10(15)11-8)4-2-1-3-5-9(13)14/h6,11-12,15H,1-5H2,(H,13,14).
What are the key properties of 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid?
6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid has a molecular weight of 213.23 g/mol, XLogP of 1.61, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid is sourced from PubChem (CID 123209377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).