diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate

C17H35NO6Si — CID 87629505

IUPACdiethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate
SMILESCCOC(=O)CC(NCC(C)(C)CC[Si](C)(OC)OC)C(=O)OCC
InChIInChI=1S/C17H35NO6Si/c1-8-23-15(19)12-14(16(20)24-9-2)18-13-17(3,4)10-11-25(7,21-5)22-6/h14,18H,8-13H2,1-7H3
InChIKeyYUXYFTZVDNVGSP-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.24
Rot. Bonds13

About diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate

diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate (PubChem CID 87629505) has the molecular formula C17H35NO6Si and a molecular weight of 377.55 g/mol. Its IUPAC name is diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate.

Molecular Properties

Compound Namediethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate
PubChem CID87629505
Molecular FormulaC17H35NO6Si
Molecular Weight377.55 g/mol
Exact Mass377.22
IUPAC Namediethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate
SMILESCCOC(=O)CC(NCC(C)(C)CC[Si](C)(OC)OC)C(=O)OCC
InChIInChI=1S/C17H35NO6Si/c1-8-23-15(19)12-14(16(20)24-9-2)18-13-17(3,4)10-11-25(7,21-5)22-6/h14,18H,8-13H2,1-7H3
InChIKeyYUXYFTZVDNVGSP-UHFFFAOYSA-N
XLogP2.24
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,2-dimethylheptylamino)butanoate
CID 113292642
methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
CID 106149126
bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate
CID 88852125
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590
1-O-ethyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 171364156
diethyl (2S)-2-(2-methylpropanoylamino)butanedioate
CID 59038083
diethyl (2S)-2-(benzylamino)butanedioate
CID 124630136
diethyl 2-[[3-[[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]methyl]phenyl]methylamino]butanedioate
CID 90442136
diethyl 2-[(2-chloroacetyl)amino]butanedioate
CID 78069321
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
diethyl (2S)-2-bromobutanedioate
CID 10422366

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate?
The IUPAC name of diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate (CID 87629505) is diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate.
What is the SMILES notation for diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate?
The canonical SMILES for diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate is CCOC(=O)CC(NCC(C)(C)CC[Si](C)(OC)OC)C(=O)OCC.
What is the InChIKey of diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate?
The InChIKey is YUXYFTZVDNVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO6Si/c1-8-23-15(19)12-14(16(20)24-9-2)18-13-17(3,4)10-11-25(7,21-5)22-6/h14,18H,8-13H2,1-7H3.
What are the key properties of diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate?
diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate has a molecular weight of 377.55 g/mol, XLogP of 2.24, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate is sourced from PubChem (CID 87629505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).