2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate

C12H27NO2Si — CID 141039289

IUPAC2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate
SMILESCC(C)(C)[Si](C)(C)CCOC(=O)CCCN
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)10-9-15-11(14)7-6-8-13/h6-10,13H2,1-5H3
InChIKeyDMWHDNUIPGCHJU-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.78
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate

2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate (PubChem CID 141039289) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate
PubChem CID141039289
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate
SMILESCC(C)(C)[Si](C)(C)CCOC(=O)CCCN
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)10-9-15-11(14)7-6-8-13/h6-10,13H2,1-5H3
InChIKeyDMWHDNUIPGCHJU-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyl 4-aminobutanoate
CID 14697327
2-Methylpropyl 4-aminobutanoate
CID 10329552
(4-Butoxy-4-oxobutyl)azanium
CID 44373865
4-Amino-3-[tert-butyl(dimethyl)silyl]butanoic acid
CID 70673731
Butyl 4-amino-3-methylbutanoate
CID 81073064
2-(Trimethylsilyl)ethyl 4-aminobutanoate
CID 86000353
2,2-Dimethylpropyl 4-aminobutanoate
CID 138567530
Tert-butyl 4-amino-2-triethoxysilylbutanoate
CID 140157082
Ethyl 4-[3-[methoxy(dimethyl)silyl]propylamino]butanoate
CID 140212505
Ethyl 4-[4-[ethoxy(dimethyl)silyl]butylamino]butanoate
CID 140212578
Ethyl 4-[3-[ethoxy(dimethyl)silyl]propylamino]butanoate
CID 140212722
Ethyl 4-[4-[methoxy(dimethyl)silyl]butylamino]butanoate
CID 140212728

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate (CID 141039289) is 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate is CC(C)(C)[Si](C)(C)CCOC(=O)CCCN.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate?
The InChIKey is DMWHDNUIPGCHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)10-9-15-11(14)7-6-8-13/h6-10,13H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate?
2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate has a molecular weight of 245.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]ethyl 4-aminobutanoate is sourced from PubChem (CID 141039289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).