(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid

C13H25NO7Si — CID 88513136

IUPAC(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid
SMILESCCCN(/C(=C/C(=O)O)C(=O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H25NO7Si/c1-5-9-14(11(13(17)18)10-12(15)16)22(19-6-2,20-7-3)21-8-4/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)/b11-10+
InChIKeyJGMVIYYNQKYKDS-ZHACJKMWSA-N
MW335.43 g/mol
LogP1.30
Rot. Bonds12

About (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid

(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid (PubChem CID 88513136) has the molecular formula C13H25NO7Si and a molecular weight of 335.43 g/mol. Its IUPAC name is (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid
PubChem CID88513136
Molecular FormulaC13H25NO7Si
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid
SMILESCCCN(/C(=C/C(=O)O)C(=O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H25NO7Si/c1-5-9-14(11(13(17)18)10-12(15)16)22(19-6-2,20-7-3)21-8-4/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)/b11-10+
InChIKeyJGMVIYYNQKYKDS-ZHACJKMWSA-N
XLogP1.30
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-propyl-N-triethoxysilylcarbamate
CID 54468213
3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid
CID 87357004
prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate
CID 22412624
[[carboxy(propyl)amino]-dimethylsilyl]-propylcarbamic acid
CID 87274858
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide
CID 19428929
1-propyl-1-trimethoxysilylurea
CID 87287857
diethoxy(dimethyl)silane;prop-2-enoic acid
CID 87574269
(E)-2-methyl-3-triethoxysilylprop-2-enoic acid
CID 19437271
(Z)-but-2-enedioic acid;bis(N,N-dipropylpropan-1-amine)
CID 173189051
2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid
CID 73414943
(Z)-3-ethoxyhex-2-enoic acid
CID 88604542
diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
CID 87148864

Frequently Asked Questions

What is the IUPAC name of (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid?
The IUPAC name of (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid (CID 88513136) is (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid.
What is the SMILES notation for (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid?
The canonical SMILES for (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid is CCCN(/C(=C/C(=O)O)C(=O)O)[Si](OCC)(OCC)OCC.
What is the InChIKey of (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid?
The InChIKey is JGMVIYYNQKYKDS-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H25NO7Si/c1-5-9-14(11(13(17)18)10-12(15)16)22(19-6-2,20-7-3)21-8-4/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)/b11-10+.
What are the key properties of (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid?
(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid has a molecular weight of 335.43 g/mol, XLogP of 1.30, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid is sourced from PubChem (CID 88513136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).