methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate

C15H23NO3 — CID 61329545

IUPACmethyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H23NO3/c1-9-6-10(2)12(4)15(11(9)3)13(16)7-19-8-14(17)18-5/h6,13H,7-8,16H2,1-5H3
InChIKeySFXXOTLTNGRSTI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.11
Rot. Bonds5

About methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate

methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate (PubChem CID 61329545) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
PubChem CID61329545
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H23NO3/c1-9-6-10(2)12(4)15(11(9)3)13(16)7-19-8-14(17)18-5/h6,13H,7-8,16H2,1-5H3
InChIKeySFXXOTLTNGRSTI-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
CID 54927569
methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
CID 79991245
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
CID 61327808
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
CID 61328764
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
methyl 2-[2-amino-2-(3-bromothiophen-2-yl)ethoxy]acetate
CID 80535938
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626
methyl (3R)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 171245774
methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
CID 114939383
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate (CID 61329545) is methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate is COC(=O)COCC(N)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate?
The InChIKey is SFXXOTLTNGRSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-6-10(2)12(4)15(11(9)3)13(16)7-19-8-14(17)18-5/h6,13H,7-8,16H2,1-5H3.
What are the key properties of methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate?
methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate is sourced from PubChem (CID 61329545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).