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

C13H19NO3 — CID 113457440

IUPACmethyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-8-9-6-5-7-10(14)11(9)12(15)16-4/h5-7H,8,14H2,1-4H3
InChIKeyGRZHOVIBQMLDEQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.37
Rot. Bonds3

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

methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate (PubChem CID 113457440) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
PubChem CID113457440
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-8-9-6-5-7-10(14)11(9)12(15)16-4/h5-7H,8,14H2,1-4H3
InChIKeyGRZHOVIBQMLDEQ-UHFFFAOYSA-N
XLogP2.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 66107125
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
tert-butyl 2-amino-6-(hydroxymethyl)benzoate
CID 133061882
methyl 2-amino-6-[(3,5-difluorophenoxy)methyl]benzoate
CID 104825483
methyl 2-amino-6-[[butan-2-yl(methyl)amino]methyl]benzoate
CID 104824308
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
methyl 2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoate
CID 104825492
methyl 2-amino-6-[[bis(2-methylpropyl)amino]methyl]benzoate
CID 104824380
methyl 2-amino-6-[(2-chloro-6-fluorophenoxy)methyl]benzoate
CID 104825565

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate?
The IUPAC name of methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate (CID 113457440) is methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate is COC(=O)c1c(N)cccc1COC(C)(C)C.
What is the InChIKey of methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate?
The InChIKey is GRZHOVIBQMLDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-8-9-6-5-7-10(14)11(9)12(15)16-4/h5-7H,8,14H2,1-4H3.
What are the key properties of methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate?
methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate has a molecular weight of 237.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate is sourced from PubChem (CID 113457440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).