4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid

C15H16N2O8 — CID 157083856

IUPAC4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESO=C(O)CCCN1C(=O)C=CC1=O.O=C(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4.C7H7NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;9-5-1-2-6(10)8(5)4-3-7(11)12/h3-4H,1-2,5H2,(H,12,13);1-2H,3-4H2,(H,11,12)
InChIKeyADWCKQOZGLBUEA-UHFFFAOYSA-N
MW352.30 g/mol
LogP-0.84
Rot. Bonds7

About 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid

4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid (PubChem CID 157083856) has the molecular formula C15H16N2O8 and a molecular weight of 352.30 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid
PubChem CID157083856
Molecular FormulaC15H16N2O8
Molecular Weight352.30 g/mol
Exact Mass352.09
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESO=C(O)CCCN1C(=O)C=CC1=O.O=C(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO4.C7H7NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;9-5-1-2-6(10)8(5)4-3-7(11)12/h3-4H,1-2,5H2,(H,12,13);1-2H,3-4H2,(H,11,12)
InChIKeyADWCKQOZGLBUEA-UHFFFAOYSA-N
XLogP-0.84
TPSA149.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Maleimidobutyric Acid
CID 3404904
N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-beta-alanine
CID 20740629
4-(2,5-Dioxopyrrol-1-yl)butanoate
CID 22907752
4-[Bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 77106255
4-(2,5-Dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87396636
CID 89906920
CID 89906920
4-[[3-Carboxypropanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-4-oxobutanoic acid
CID 118491581
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;hydrochloride
CID 121482736
4-[[3-carboxypropanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(5-oxo-2H-pyrrol-1-yl)propanoyl]amino]-4-oxobutanoic acid
CID 130268644
3-(2,5-Dioxopyrrol-1-yl)propanoic acid;ethane
CID 145202577
4-(5-oxo-2H-pyrrol-1-yl)butanoic acid
CID 146637996
CID 157679945
CID 157679945

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid (CID 157083856) is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid is O=C(O)CCCN1C(=O)C=CC1=O.O=C(O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The InChIKey is ADWCKQOZGLBUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4.C7H7NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;9-5-1-2-6(10)8(5)4-3-7(11)12/h3-4H,1-2,5H2,(H,12,13);1-2H,3-4H2,(H,11,12).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid?
4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid has a molecular weight of 352.30 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid is sourced from PubChem (CID 157083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).