4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid

C8H11NO4 — CID 126489101

IUPAC4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid
SMILESO=C(O)CCCN1C(=O)C=CC1O
InChIInChI=1S/C8H11NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4,6,10H,1-2,5H2,(H,12,13)
InChIKeyOXRROQJXMNUIPD-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.43
Rot. Bonds4

About 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid

4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid (PubChem CID 126489101) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid
PubChem CID126489101
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid
SMILESO=C(O)CCCN1C(=O)C=CC1O
InChIInChI=1S/C8H11NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4,6,10H,1-2,5H2,(H,12,13)
InChIKeyOXRROQJXMNUIPD-UHFFFAOYSA-N
XLogP-0.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Maleimidobutyric Acid
CID 3404904
6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoic acid
CID 68330230
3-[(2S)-2-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 118567750
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;hydrochloride
CID 121482736
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoic acid
CID 122434138
5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
CID 123730920
4-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 124033520
[acetyl(propanoyl)amino] 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoate
CID 126589420
4-(2,5-Dihydroxy-2,5-dihydropyrrol-1-yl)butanoic acid
CID 141252249
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoate
CID 146204540
(2,5-dioxopyrrolidin-1-yl) 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoate
CID 146215567
4-(5-oxo-2H-pyrrol-1-yl)butanoic acid
CID 146637996

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid?
The IUPAC name of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid (CID 126489101) is 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid is O=C(O)CCCN1C(=O)C=CC1O.
What is the InChIKey of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid?
The InChIKey is OXRROQJXMNUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4,6,10H,1-2,5H2,(H,12,13).
What are the key properties of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid?
4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid is sourced from PubChem (CID 126489101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).