methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate

C16H27NO3Si — CID 59524403

IUPACmethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
SMILESCOC(=O)CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-14-9-7-8-13(10-14)11-17-12-15(18)19-4/h7-10,17H,11-12H2,1-6H3
InChIKeyMCTPDJYXXIPKNA-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.33
Rot. Bonds6

About methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate

methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate (PubChem CID 59524403) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
PubChem CID59524403
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Namemethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
SMILESCOC(=O)CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-14-9-7-8-13(10-14)11-17-12-15(18)19-4/h7-10,17H,11-12H2,1-6H3
InChIKeyMCTPDJYXXIPKNA-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate
CID 59524397
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylethanamine
CID 167728474
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
CID 11258393
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
4-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylcarbamoyl]-2-chlorocyclohexa-1,5-diene-1-carboxylic acid
CID 163932863
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
methyl 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenoxy]acetate
CID 54144555
N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-5-propanoyl-4-(trifluoromethyl)thiophene-2-carboxamide
CID 123379153
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate?
The IUPAC name of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate (CID 59524403) is methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate is COC(=O)CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate?
The InChIKey is MCTPDJYXXIPKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-14-9-7-8-13(10-14)11-17-12-15(18)19-4/h7-10,17H,11-12H2,1-6H3.
What are the key properties of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate?
methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate has a molecular weight of 309.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate is sourced from PubChem (CID 59524403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).