2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid

C8H11NO4 — CID 90766877

IUPAC2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid
SMILESCc1cc(O)n(C(C)C(=O)O)c1O
InChIInChI=1S/C8H11NO4/c1-4-3-6(10)9(7(4)11)5(2)8(12)13/h3,5,10-11H,1-2H3,(H,12,13)
InChIKeyWGOWXLKJPRGLPX-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.85
Rot. Bonds2

About 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid

2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid (PubChem CID 90766877) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid
PubChem CID90766877
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid
SMILESCc1cc(O)n(C(C)C(=O)O)c1O
InChIInChI=1S/C8H11NO4/c1-4-3-6(10)9(7(4)11)5(2)8(12)13/h3,5,10-11H,1-2H3,(H,12,13)
InChIKeyWGOWXLKJPRGLPX-UHFFFAOYSA-N
XLogP0.85
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2R)-2-(2,5-dihydroxypyrrol-1-yl)-3-sulfanylpropanoic acid
CID 54030153
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
2-(2,5-Dihydroxypyrrol-1-yl)butanedioic acid
CID 54377837
2-(2,5-dihydroxypyrrol-1-yl)-3-oxobutanethioic S-acid
CID 57105134
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205
2-[3-(2,5-Dihydroxypyrrol-1-yl)-2-fluoro-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid
CID 57319380
3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
CID 90781057
2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)-2-methylpropanoic acid
CID 91306695
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
Disulfanyl 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53667797

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid?
The IUPAC name of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid (CID 90766877) is 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid?
The canonical SMILES for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid is Cc1cc(O)n(C(C)C(=O)O)c1O.
What is the InChIKey of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid?
The InChIKey is WGOWXLKJPRGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4-3-6(10)9(7(4)11)5(2)8(12)13/h3,5,10-11H,1-2H3,(H,12,13).
What are the key properties of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid?
2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoic acid is sourced from PubChem (CID 90766877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).