methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate

C11H16N2O4 — CID 130244816

IUPACmethyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate
SMILESCOC(=O)/C=C\C(=O)NCCN1CCCC1=O
InChIInChI=1S/C11H16N2O4/c1-17-11(16)5-4-9(14)12-6-8-13-7-2-3-10(13)15/h4-5H,2-3,6-8H2,1H3,(H,12,14)/b5-4-
InChIKeyZRIAJRGRFQRVLI-PLNGDYQASA-N
MW240.26 g/mol
LogP-0.55
Rot. Bonds5

About methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate

methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate (PubChem CID 130244816) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate
PubChem CID130244816
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate
SMILESCOC(=O)/C=C\C(=O)NCCN1CCCC1=O
InChIInChI=1S/C11H16N2O4/c1-17-11(16)5-4-9(14)12-6-8-13-7-2-3-10(13)15/h4-5H,2-3,6-8H2,1H3,(H,12,14)/b5-4-
InChIKeyZRIAJRGRFQRVLI-PLNGDYQASA-N
XLogP-0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-[2-[3-(methoxymethyl)-2-oxoimidazolidin-1-yl]ethylamino]-4-oxobut-2-enoate
CID 54441096
(Z)-4-methoxy-4-oxobut-2-enoic acid;pyrrolidin-2-one
CID 70562286
4-Methoxy-4-oxobut-2-enoic acid;pyrrolidin-2-one
CID 70562290
Dibutyl but-2-enedioate;pyrrolidin-2-one
CID 70591024
dibutyl (Z)-but-2-enedioate;pyrrolidin-2-one
CID 70594302
methyl (E)-4-oxo-4-[4-(prop-2-enoylamino)butylamino]but-2-enoate
CID 87413344
methyl (E)-4-[2-(2-methylprop-2-enoylamino)ethylamino]-4-oxobut-2-enoate
CID 88563963
Furan-2,5-dione;pyrrolidin-2-one
CID 88759483
methyl (E)-4-[2-[2-aminoethyl(methyl)amino]ethylamino]-4-oxobut-2-enoate
CID 88927011
methyl (E)-4-[2-[[(2S)-2-aminopropanoyl]amino]ethylamino]-4-oxobut-2-enoate
CID 88950850
methyl (E)-4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]but-2-enoate
CID 118667804
Methyl 4-[2-(2-aminopropanoylamino)ethylamino]-4-oxobut-2-enoate
CID 123279171

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate?
The IUPAC name of methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate (CID 130244816) is methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate.
What is the SMILES notation for methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate?
The canonical SMILES for methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate is COC(=O)/C=C\C(=O)NCCN1CCCC1=O.
What is the InChIKey of methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate?
The InChIKey is ZRIAJRGRFQRVLI-PLNGDYQASA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-11(16)5-4-9(14)12-6-8-13-7-2-3-10(13)15/h4-5H,2-3,6-8H2,1H3,(H,12,14)/b5-4-.
What are the key properties of methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate?
methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate has a molecular weight of 240.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoate is sourced from PubChem (CID 130244816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).