methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate

C14H19NO4 — CID 66107125

IUPACmethyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
SMILESCOC(=O)c1c(N)cccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-11(16)8-9-6-5-7-10(15)12(9)13(17)18-4/h5-7H,8,15H2,1-4H3
InChIKeyNHVWVGDPIXXFFQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.94
Rot. Bonds3

About methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate

methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate (PubChem CID 66107125) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
PubChem CID66107125
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
SMILESCOC(=O)c1c(N)cccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-11(16)8-9-6-5-7-10(15)12(9)13(17)18-4/h5-7H,8,15H2,1-4H3
InChIKeyNHVWVGDPIXXFFQ-UHFFFAOYSA-N
XLogP1.94
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 113457440
tert-butyl 2-amino-6-(hydroxymethyl)benzoate
CID 133061882
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
methyl 2-amino-6-[[bis(2-methylpropyl)amino]methyl]benzoate
CID 104824380
methyl 2-amino-6-[[butan-2-yl(methyl)amino]methyl]benzoate
CID 104824308
methyl 2-amino-6-[(3,5-difluorophenoxy)methyl]benzoate
CID 104825483
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-nitrobenzoate
CID 66643062
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
methyl 2-amino-6-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzoate
CID 106914531

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
The IUPAC name of methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate (CID 66107125) is methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate is COC(=O)c1c(N)cccc1CC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
The InChIKey is NHVWVGDPIXXFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-11(16)8-9-6-5-7-10(15)12(9)13(17)18-4/h5-7H,8,15H2,1-4H3.
What are the key properties of methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate is sourced from PubChem (CID 66107125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).