2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate

C21H48N2O4Si2 — CID 57115648

IUPAC2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate
SMILESCC(C)(C)[Si](C)(C)OCCN(CCOC(=O)CCN)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H48N2O4Si2/c1-20(2,3)28(7,8)26-17-14-23(13-16-25-19(24)11-12-22)15-18-27-29(9,10)21(4,5)6/h11-18,22H2,1-10H3
InChIKeyNCFYFXDGKJNFEW-UHFFFAOYSA-N
MW448.80 g/mol
LogP4.22
Rot. Bonds13

About 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate

2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate (PubChem CID 57115648) has the molecular formula C21H48N2O4Si2 and a molecular weight of 448.80 g/mol. Its IUPAC name is 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate.

Molecular Properties

Compound Name2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate
PubChem CID57115648
Molecular FormulaC21H48N2O4Si2
Molecular Weight448.80 g/mol
Exact Mass448.32
IUPAC Name2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate
SMILESCC(C)(C)[Si](C)(C)OCCN(CCOC(=O)CCN)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H48N2O4Si2/c1-20(2,3)28(7,8)26-17-14-23(13-16-25-19(24)11-12-22)15-18-27-29(9,10)21(4,5)6/h11-18,22H2,1-10H3
InChIKeyNCFYFXDGKJNFEW-UHFFFAOYSA-N
XLogP4.22
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate?
The IUPAC name of 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate (CID 57115648) is 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate.
What is the SMILES notation for 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate?
The canonical SMILES for 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate is CC(C)(C)[Si](C)(C)OCCN(CCOC(=O)CCN)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate?
The InChIKey is NCFYFXDGKJNFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48N2O4Si2/c1-20(2,3)28(7,8)26-17-14-23(13-16-25-19(24)11-12-22)15-18-27-29(9,10)21(4,5)6/h11-18,22H2,1-10H3.
What are the key properties of 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate?
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate has a molecular weight of 448.80 g/mol, XLogP of 4.22, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate is sourced from PubChem (CID 57115648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).