methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate

C13H25NO5Si — CID 59083277

IUPACmethyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate
SMILESCCO[Si](C)(CCCNC(=O)/C=C/C(=O)OC)OCC
InChIInChI=1S/C13H25NO5Si/c1-5-18-20(4,19-6-2)11-7-10-14-12(15)8-9-13(16)17-3/h8-9H,5-7,10-11H2,1-4H3,(H,14,15)/b9-8+
InChIKeyYFGILPOKSPHMCG-CMDGGOBGSA-N
MW303.43 g/mol
LogP1.37
Rot. Bonds10

About methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate

methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate (PubChem CID 59083277) has the molecular formula C13H25NO5Si and a molecular weight of 303.43 g/mol. Its IUPAC name is methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate
PubChem CID59083277
Molecular FormulaC13H25NO5Si
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Namemethyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate
SMILESCCO[Si](C)(CCCNC(=O)/C=C/C(=O)OC)OCC
InChIInChI=1S/C13H25NO5Si/c1-5-18-20(4,19-6-2)11-7-10-14-12(15)8-9-13(16)17-3/h8-9H,5-7,10-11H2,1-4H3,(H,14,15)/b9-8+
InChIKeyYFGILPOKSPHMCG-CMDGGOBGSA-N
XLogP1.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate with MolForge

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Related Compounds

Triethoxysilylpropylmaleamic acid
CID 118497
2-Butenoic acid, 4-oxo-4-[[3-(triethoxysilyl)propyl]amino]-, (2Z)-
CID 5706563
4-Oxo-4-((3-(triethoxysilyl)propyl)amino)-2-butenoic acid
CID 6197818
N-propyl methyl maleamate
CID 88794297
3-(triethoxysilyl)propylammonium (e)-3-{N-[3-(triethoxysilyl)propyl]carbamoyl}propenoate
CID 12060234
(e)-3-{N-[3-(triethoxysilyl)propylammonio-ethyl]carbamoyl}propenoate
CID 129764417
(Z)-4-[4-[dihydroxy(methyl)silyl]butylamino]-4-oxobut-2-enoic acid
CID 5358148
methyl (E)-4-oxo-4-(propylamino)but-2-enoate
CID 15334736
ethyl (E)-4-oxo-4-(propylamino)but-2-enoate
CID 21318468
methyl (E)-4-(4-diethoxysilylidenebutylamino)-4-oxobut-2-enoate
CID 23541103
Propyl 4-oxo-4-(propylamino)but-2-enoate
CID 53666829
Ethyl 4-oxo-4-(propylamino)but-2-enoate
CID 53924418

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate?
The IUPAC name of methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate (CID 59083277) is methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate.
What is the SMILES notation for methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate?
The canonical SMILES for methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate is CCO[Si](C)(CCCNC(=O)/C=C/C(=O)OC)OCC.
What is the InChIKey of methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate?
The InChIKey is YFGILPOKSPHMCG-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H25NO5Si/c1-5-18-20(4,19-6-2)11-7-10-14-12(15)8-9-13(16)17-3/h8-9H,5-7,10-11H2,1-4H3,(H,14,15)/b9-8+.
What are the key properties of methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate?
methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate has a molecular weight of 303.43 g/mol, XLogP of 1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate is sourced from PubChem (CID 59083277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).