methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate

C11H16N2O4 — CID 103255144

IUPACmethyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate
SMILESCOC(=O)C(C)=CCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(11(16)17-3)4-5-12-8-6-9(14)13(2)10(8)15/h4,8,12H,5-6H2,1-3H3
InChIKeyWCWSDRBBEDAUNP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.55
Rot. Bonds4

About methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate

methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate (PubChem CID 103255144) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate
PubChem CID103255144
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate
SMILESCOC(=O)C(C)=CCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(11(16)17-3)4-5-12-8-6-9(14)13(2)10(8)15/h4,8,12H,5-6H2,1-3H3
InChIKeyWCWSDRBBEDAUNP-UHFFFAOYSA-N
XLogP-0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate with MolForge

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Related Compounds

methyl (E)-4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]but-2-enoate
CID 118667804
methyl (E)-4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]but-2-enoate
CID 129179201
methyl (E,4S)-4-[[(2R)-4-amino-2-(butanoylamino)-4-oxobutanoyl]amino]pent-2-enoate
CID 152742112
CID 178895534
CID 178895534
Methyl 2-methyl-4-[2-(methylcarbamoyl)pyrrolidin-1-yl]but-2-enoate
CID 77074956
4-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)amino]-4-oxobut-2-enoic acid
CID 77075497
Methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-methylbut-2-enoate
CID 77076500
ethyl (E)-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate
CID 80547289
Methyl 2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]but-2-enoate
CID 103254288
(Z)-2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoic acid
CID 103255111
(E)-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoic acid
CID 103255124
3-Methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoic acid
CID 103255125

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate?
The IUPAC name of methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate (CID 103255144) is methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate is COC(=O)C(C)=CCNC1CC(=O)N(C)C1=O.
What is the InChIKey of methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate?
The InChIKey is WCWSDRBBEDAUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(11(16)17-3)4-5-12-8-6-9(14)13(2)10(8)15/h4,8,12H,5-6H2,1-3H3.
What are the key properties of methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate?
methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate has a molecular weight of 240.26 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate is sourced from PubChem (CID 103255144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).