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

C7H9NO4 — CID 54281089

IUPAC2-(2,5-dihydroxypyrrol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h2-4,9-10H,1H3,(H,11,12)
InChIKeyRQVJXHKUSGZCJC-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.54
Rot. Bonds2

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

2-(2,5-dihydroxypyrrol-1-yl)propanoic acid (PubChem CID 54281089) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)propanoic acid
PubChem CID54281089
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h2-4,9-10H,1H3,(H,11,12)
InChIKeyRQVJXHKUSGZCJC-UHFFFAOYSA-N
XLogP0.54
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
4-(2,5-dihydroxypyrrol-1-yl)-3-oxobutanethioic S-acid
CID 53733589
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2R)-2-(2,5-dihydroxypyrrol-1-yl)-3-sulfanylpropanoic acid
CID 54030153
1-Ethylpyrrole-2,5-diol
CID 54068298
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
S-acetyl 2-(2,5-dihydroxypyrrol-1-yl)ethanethioate
CID 54217813

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid (CID 54281089) is 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid is CC(C(=O)O)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid?
The InChIKey is RQVJXHKUSGZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h2-4,9-10H,1H3,(H,11,12).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid?
2-(2,5-dihydroxypyrrol-1-yl)propanoic acid has a molecular weight of 171.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)propanoic acid is sourced from PubChem (CID 54281089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).