4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride

C8H10ClNO4 — CID 121482736

IUPAC4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4.ClH/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;/h3-4H,1-2,5H2,(H,12,13);1H
InChIKeyVKQALJRGBFEPJZ-UHFFFAOYSA-N
MW219.62 g/mol
LogP0.20
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride

4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride (PubChem CID 121482736) has the molecular formula C8H10ClNO4 and a molecular weight of 219.62 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride
PubChem CID121482736
Molecular FormulaC8H10ClNO4
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4.ClH/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;/h3-4H,1-2,5H2,(H,12,13);1H
InChIKeyVKQALJRGBFEPJZ-UHFFFAOYSA-N
XLogP0.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-Maleimidobutyric Acid
CID 3404904
Methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoate
CID 11629774
Sodium 4-maleimidobutyrate
CID 121347902
4-(3-Methyl-2,5-dioxopyrrol-1-yl)butanoic acid
CID 24873638
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
Thionitroso 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 21351005
3-(2,5-Dioxopyrrol-1-yl)butanoic acid
CID 22568348
4-(2,5-Dioxopyrrol-1-yl)butanoate
CID 22907752
N-Maleoyl-5-NH2butyric acid,Et ester
CID 23274068
3-(2,5-Dioxopyrrol-1-yl)propanoic acid;hydrochloride
CID 24763400
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
4-[Methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride (CID 121482736) is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride is Cl.O=C(O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride?
The InChIKey is VKQALJRGBFEPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4.ClH/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;/h3-4H,1-2,5H2,(H,12,13);1H.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride?
4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride has a molecular weight of 219.62 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 121482736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).