11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid

C15H25NO4 — CID 54132468

IUPAC11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C15H25NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11,17-18H,1-9,12H2,(H,19,20)
InChIKeyNVHULGGEQGXCOL-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.49
Rot. Bonds11

About 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid

11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid (PubChem CID 54132468) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid.

Molecular Properties

Compound Name11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid
PubChem CID54132468
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C15H25NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11,17-18H,1-9,12H2,(H,19,20)
InChIKeyNVHULGGEQGXCOL-UHFFFAOYSA-N
XLogP3.49
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.49
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

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
18-(2,5-Dihydroxypyrrol-1-yl)-2-sulfooctadec-9-enoic acid
CID 53808774
(2,5-Dihydroxypyrrol-1-yl) octadec-9-enoate
CID 54084610
(2,5-Dihydroxypyrrol-1-yl) hexadecanoate
CID 54247195
(2,5-Dihydroxypyrrol-1-yl) 5-(dithiolan-3-yl)pentanoate
CID 54293186
Bis(2,5-dihydroxypyrrol-1-yl) octanedioate
CID 54365501
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
10-(2,5-Dihydroxypyrrol-1-yl)undec-2-enoic acid
CID 90702857
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid?
The IUPAC name of 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid (CID 54132468) is 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid.
What is the SMILES notation for 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid?
The canonical SMILES for 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid is O=C(O)CCCCCCCCCCn1c(O)ccc1O.
What is the InChIKey of 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid?
The InChIKey is NVHULGGEQGXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11,17-18H,1-9,12H2,(H,19,20).
What are the key properties of 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid?
11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.49, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5-dihydroxypyrrol-1-yl)undecanoic acid is sourced from PubChem (CID 54132468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).