dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate

C13H27NO7Si — CID 154110369

IUPACdimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate
SMILESCCCN([SiH2]OCC(OC)OC)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C13H27NO7Si/c1-6-7-14(22-21-9-12(18-3)19-4)10(13(16)20-5)8-11(15)17-2/h10,12H,6-9,22H2,1-5H3
InChIKeyMJQIOAGDWIWKCN-UHFFFAOYSA-N
MW337.45 g/mol
LogP-0.56
Rot. Bonds12

About dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate

dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate (PubChem CID 154110369) has the molecular formula C13H27NO7Si and a molecular weight of 337.45 g/mol. Its IUPAC name is dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate
PubChem CID154110369
Molecular FormulaC13H27NO7Si
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Namedimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate
SMILESCCCN([SiH2]OCC(OC)OC)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C13H27NO7Si/c1-6-7-14(22-21-9-12(18-3)19-4)10(13(16)20-5)8-11(15)17-2/h10,12H,6-9,22H2,1-5H3
InChIKeyMJQIOAGDWIWKCN-UHFFFAOYSA-N
XLogP-0.56
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate
CID 154101002
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate
CID 91112256
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
CID 18914281
2,2-dimethoxyethyl 3-oxobutanoate
CID 158140754
dimethyl 2-phosphanylbutanedioate
CID 57266092
methyl 2-(dimethylamino)butanoate
CID 14644900
dimethyl 2-[propyl(sulfanyl)carbamothioyl]butanedioate
CID 22165324
dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate
CID 87149294
methyl 2-(dimethylamino)-3-methoxypropanoate
CID 59922480
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl 2-[amino(propyl)amino]acetate
CID 123689793

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate?
The IUPAC name of dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate (CID 154110369) is dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate.
What is the SMILES notation for dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate?
The canonical SMILES for dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate is CCCN([SiH2]OCC(OC)OC)C(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate?
The InChIKey is MJQIOAGDWIWKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO7Si/c1-6-7-14(22-21-9-12(18-3)19-4)10(13(16)20-5)8-11(15)17-2/h10,12H,6-9,22H2,1-5H3.
What are the key properties of dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate?
dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate has a molecular weight of 337.45 g/mol, XLogP of -0.56, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate is sourced from PubChem (CID 154110369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).