ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate

C17H29NO3Si — CID 69341260

IUPACethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate
SMILESCCOC(=O)CCc1cccc(N)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO3Si/c1-7-20-15(19)12-11-13-9-8-10-14(18)16(13)21-22(5,6)17(2,3)4/h8-10H,7,11-12,18H2,1-6H3
InChIKeyHRYSYCNHBZDLJV-UHFFFAOYSA-N
MW323.51 g/mol
LogP4.15
Rot. Bonds6

About ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate

ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate (PubChem CID 69341260) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate
PubChem CID69341260
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Nameethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate
SMILESCCOC(=O)CCc1cccc(N)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO3Si/c1-7-20-15(19)12-11-13-9-8-10-14(18)16(13)21-22(5,6)17(2,3)4/h8-10H,7,11-12,18H2,1-6H3
InChIKeyHRYSYCNHBZDLJV-UHFFFAOYSA-N
XLogP4.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-pyridinyl]propanoate
CID 58946045
ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate
CID 58105215
ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
CID 134444752
2-[2-amino-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118825025
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
CID 11304558
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 17-(2-aminophenyl)heptadecanoate
CID 21163280
ethyl 3-(2-amino-6-fluorophenyl)propanoate
CID 174546302
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
methyl 2-bromo-6-(3-ethoxy-3-oxopropyl)benzoate
CID 134648175
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate?
The IUPAC name of ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate (CID 69341260) is ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate?
The canonical SMILES for ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate is CCOC(=O)CCc1cccc(N)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate?
The InChIKey is HRYSYCNHBZDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-7-20-15(19)12-11-13-9-8-10-14(18)16(13)21-22(5,6)17(2,3)4/h8-10H,7,11-12,18H2,1-6H3.
What are the key properties of ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate?
ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate has a molecular weight of 323.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate is sourced from PubChem (CID 69341260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).