(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate

C8H11NO4 — CID 129131767

IUPAC(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate
SMILESCCCC(=O)ON1C(=O)C=CC1O
InChIInChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h4-6,10H,2-3H2,1H3
InChIKeyQPINVOQNTRIEHD-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.04
Rot. Bonds3

About (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate

(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate (PubChem CID 129131767) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate
PubChem CID129131767
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate
SMILESCCCC(=O)ON1C(=O)C=CC1O
InChIInChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h4-6,10H,2-3H2,1H3
InChIKeyQPINVOQNTRIEHD-UHFFFAOYSA-N
XLogP-0.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[acetyl(propanoyl)amino] 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoate
CID 126589420
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) 3-methylbutanoate
CID 137491785
methyl 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoate
CID 156103689
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate
CID 166945533
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate
CID 178057727
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) 2-methylpropanoate
CID 178679190

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate?
The IUPAC name of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate (CID 129131767) is (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate.
What is the SMILES notation for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate?
The canonical SMILES for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate is CCCC(=O)ON1C(=O)C=CC1O.
What is the InChIKey of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate?
The InChIKey is QPINVOQNTRIEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h4-6,10H,2-3H2,1H3.
What are the key properties of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate?
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate has a molecular weight of 185.18 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate is sourced from PubChem (CID 129131767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).