4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid

C8H11NO5 — CID 90755823

IUPAC4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCn1c(O)ccc1O
InChIInChI=1S/C8H11NO5/c10-5(8(13)14)3-4-9-6(11)1-2-7(9)12/h1-2,5,10-12H,3-4H2,(H,13,14)
InChIKeyIDFURPOALKRNCK-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.27
Rot. Bonds4

About 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid

4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid (PubChem CID 90755823) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid
PubChem CID90755823
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCn1c(O)ccc1O
InChIInChI=1S/C8H11NO5/c10-5(8(13)14)3-4-9-6(11)1-2-7(9)12/h1-2,5,10-12H,3-4H2,(H,13,14)
InChIKeyIDFURPOALKRNCK-UHFFFAOYSA-N
XLogP-0.27
TPSA102.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
2-(2,5-Dihydroxypyrrol-1-yl)butanedioic acid
CID 54377837
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 91471577
2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)-2-methylpropanoic acid
CID 91306695
4-(2,5-Dihydroxypyrrol-1-yl)butan-2-one
CID 53647783
2-Acetyloxy-2-(2,5-dihydroxypyrrol-1-yl)acetic acid
CID 53657203
Disulfanyl 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53667797
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-3-hydroxypropanoic acid
CID 53729060
1-(2,5-Dihydroxypyrrol-1-yl)propan-2-yl prop-2-enoate
CID 53780779
(2,5-Dihydroxypyrrol-1-yl) 2-methoxypropanoate
CID 53828897
(2,5-Dihydroxypyrrol-1-yl) 2-hydroxypropanoate
CID 53851847

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid?
The IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid (CID 90755823) is 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid is O=C(O)C(O)CCn1c(O)ccc1O.
What is the InChIKey of 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid?
The InChIKey is IDFURPOALKRNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c10-5(8(13)14)3-4-9-6(11)1-2-7(9)12/h1-2,5,10-12H,3-4H2,(H,13,14).
What are the key properties of 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid?
4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid is sourced from PubChem (CID 90755823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).