2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid

C27H33NO3Si — CID 67674409

IUPAC2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
SMILESCC(C)(C)[Si](OCCN(CC(=O)O)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NO3Si/c1-27(2,3)32(24-15-9-5-10-16-24,25-17-11-6-12-18-25)31-20-19-28(22-26(29)30)21-23-13-7-4-8-14-23/h4-18H,19-22H2,1-3H3,(H,29,30)
InChIKeyLDFIFIJUIQLHRN-UHFFFAOYSA-N
MW447.65 g/mol
LogP4.15
Rot. Bonds10

About 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid

2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid (PubChem CID 67674409) has the molecular formula C27H33NO3Si and a molecular weight of 447.65 g/mol. Its IUPAC name is 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
PubChem CID67674409
Molecular FormulaC27H33NO3Si
Molecular Weight447.65 g/mol
Exact Mass447.22
IUPAC Name2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
SMILESCC(C)(C)[Si](OCCN(CC(=O)O)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NO3Si/c1-27(2,3)32(24-15-9-5-10-16-24,25-17-11-6-12-18-25)31-20-19-28(22-26(29)30)21-23-13-7-4-8-14-23/h4-18H,19-22H2,1-3H3,(H,29,30)
InChIKeyLDFIFIJUIQLHRN-UHFFFAOYSA-N
XLogP4.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.15
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

benzyl 3-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(3-oxo-3-phenylmethoxypropyl)amino]ethyl-(3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 21359594
methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 54470392
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
1-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(chloromethyl)amino]butan-2-one
CID 159768408
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid (CID 67674409) is 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid is CC(C)(C)[Si](OCCN(CC(=O)O)Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid?
The InChIKey is LDFIFIJUIQLHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3Si/c1-27(2,3)32(24-15-9-5-10-16-24,25-17-11-6-12-18-25)31-20-19-28(22-26(29)30)21-23-13-7-4-8-14-23/h4-18H,19-22H2,1-3H3,(H,29,30).
What are the key properties of 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid?
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid has a molecular weight of 447.65 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid is sourced from PubChem (CID 67674409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).