(Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid

C11H12N2O7 — CID 146387720

IUPAC(Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H12N2O7/c14-7(1-4-10(17)18)12-6-5-11(19)20-13-8(15)2-3-9(13)16/h1,4H,2-3,5-6H2,(H,12,14)(H,17,18)/b4-1-
InChIKeyFOVNKCFGWSNLGS-RJRFIUFISA-N
MW284.22 g/mol
LogP-1.26
Rot. Bonds6

About (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid

(Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid (PubChem CID 146387720) has the molecular formula C11H12N2O7 and a molecular weight of 284.22 g/mol. Its IUPAC name is (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid
PubChem CID146387720
Molecular FormulaC11H12N2O7
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name(Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H12N2O7/c14-7(1-4-10(17)18)12-6-5-11(19)20-13-8(15)2-3-9(13)16/h1,4H,2-3,5-6H2,(H,12,14)(H,17,18)/b4-1-
InChIKeyFOVNKCFGWSNLGS-RJRFIUFISA-N
XLogP-1.26
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid with MolForge

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Related Compounds

2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
(E)-but-2-enedioic acid;pyrrolidin-2-one
CID 19757929
(Z)-but-2-enedioic acid;pyrrolidin-2-one
CID 67142425
But-2-enedioic acid;pyrrolidin-2-one
CID 67913684
acetic acid;(Z)-but-2-enedioic acid;pyrrolidin-2-one
CID 70545245
Acetic acid;but-2-enedioic acid;pyrrolidin-2-one
CID 70545250
2,5-Dioxopyrrolidin-1-yl 3-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)propanoate
CID 88917925
(Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid
CID 130245272
(2,5-dioxopyrrolidin-1-yl) 3-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]propanoate
CID 144229425
3-(2,5-Dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
CID 145202618
(Z)-4-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]amino]-4-oxobut-2-enoic acid
CID 146387476
methyl (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoate
CID 146387572

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid (CID 146387720) is (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)NCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid?
The InChIKey is FOVNKCFGWSNLGS-RJRFIUFISA-N. The full InChI is InChI=1S/C11H12N2O7/c14-7(1-4-10(17)18)12-6-5-11(19)20-13-8(15)2-3-9(13)16/h1,4H,2-3,5-6H2,(H,12,14)(H,17,18)/b4-1-.
What are the key properties of (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid?
(Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid has a molecular weight of 284.22 g/mol, XLogP of -1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 146387720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).