3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid

C14H29NO6Si — CID 87357004

IUPAC3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid
SMILESCCCN(C(=O)C(C)CC(=O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H29NO6Si/c1-6-10-15(14(18)12(5)11-13(16)17)22(19-7-2,20-8-3)21-9-4/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyBLOWBGBYSLOYTL-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.88
Rot. Bonds12

About 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid

3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid (PubChem CID 87357004) has the molecular formula C14H29NO6Si and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid
PubChem CID87357004
Molecular FormulaC14H29NO6Si
Molecular Weight335.47 g/mol
Exact Mass335.18
IUPAC Name3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid
SMILESCCCN(C(=O)C(C)CC(=O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H29NO6Si/c1-6-10-15(14(18)12(5)11-13(16)17)22(19-7-2,20-8-3)21-9-4/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyBLOWBGBYSLOYTL-UHFFFAOYSA-N
XLogP1.88
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-propyl-N-triethoxysilylcarbamate
CID 54468213
(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid
CID 88513136
ethane;4-ethoxy-3-methyl-4-oxobutanoic acid
CID 122506118
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
CID 115164617
3-methyl-4-oxoheptanoic acid
CID 19914762
diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
CID 87148864
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid
CID 141175457
(3S)-3-methyl-4-oxopentanoic acid
CID 12576879
2-triethoxysilyloxybutanedioic acid
CID 10957429
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid (CID 87357004) is 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid is CCCN(C(=O)C(C)CC(=O)O)[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid?
The InChIKey is BLOWBGBYSLOYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO6Si/c1-6-10-15(14(18)12(5)11-13(16)17)22(19-7-2,20-8-3)21-9-4/h12H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid?
3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid has a molecular weight of 335.47 g/mol, XLogP of 1.88, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-4-[propyl(triethoxysilyl)amino]butanoic acid is sourced from PubChem (CID 87357004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).