2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate

C24H56N2O9Si4 — CID 67766613

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.NC(CO)(CO)CO.O=C1CCCN1
InChIInChI=1S/C16H38O5Si4.C4H11NO3.C4H7NO/c1-13-15(18-16(17)14(2)3)25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12;5-4(1-6,2-7)3-8;6-4-2-1-3-5-4/h15H,2,13H2,1,3-12H3;6-8H,1-3,5H2;1-3H2,(H,5,6)
InChIKeyLGMWORQUUIUANT-UHFFFAOYSA-N
MW629.06 g/mol
LogP2.47
Rot. Bonds13

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate

2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate (PubChem CID 67766613) has the molecular formula C24H56N2O9Si4 and a molecular weight of 629.06 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
PubChem CID67766613
Molecular FormulaC24H56N2O9Si4
Molecular Weight629.06 g/mol
Exact Mass628.31
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.NC(CO)(CO)CO.O=C1CCCN1
InChIInChI=1S/C16H38O5Si4.C4H11NO3.C4H7NO/c1-13-15(18-16(17)14(2)3)25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12;5-4(1-6,2-7)3-8;6-4-2-1-3-5-4/h15H,2,13H2,1,3-12H3;6-8H,1-3,5H2;1-3H2,(H,5,6)
InChIKeyLGMWORQUUIUANT-UHFFFAOYSA-N
XLogP2.47
TPSA169.80 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.06
LogP ≤ 52.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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

2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 87356592
2-methylprop-1-ene;pyrrolidin-2-one
CID 174928634
ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one
CID 22153662
[2-hydroxy-3-[1-tris(trimethylsilyloxy)silylpropoxy]propyl] 2-methylprop-2-enoate
CID 22134039
1,1,1,3,3,3-hexafluoropropane;2-methylprop-2-enoic acid;pyrrolidin-2-one
CID 159858111
(5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 173156428
propanoic acid;pyrrolidin-2-one
CID 163580997
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
sodium;carbonic acid;pyrrolidin-2-one
CID 19352761
1-[methyl-bis(methylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 173234649
1-[dimethylsilyloxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 123837103
[2-hydroxy-3-[1-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate
CID 87222684

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate (CID 67766613) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.NC(CO)(CO)CO.O=C1CCCN1.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
The InChIKey is LGMWORQUUIUANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O5Si4.C4H11NO3.C4H7NO/c1-13-15(18-16(17)14(2)3)25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12;5-4(1-6,2-7)3-8;6-4-2-1-3-5-4/h15H,2,13H2,1,3-12H3;6-8H,1-3,5H2;1-3H2,(H,5,6).
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate has a molecular weight of 629.06 g/mol, XLogP of 2.47, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 67766613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).