methyl 2-(4-amino-3-methylphenoxy)acetate

C10H13NO3 — CID 16772308

IUPACmethyl 2-(4-amino-3-methylphenoxy)acetate
SMILESCOC(=O)COc1ccc(N)c(C)c1
InChIInChI=1S/C10H13NO3/c1-7-5-8(3-4-9(7)11)14-6-10(12)13-2/h3-5H,6,11H2,1-2H3
InChIKeySGZRRAXRQWPIPB-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.13
Rot. Bonds3

About methyl 2-(4-amino-3-methylphenoxy)acetate

methyl 2-(4-amino-3-methylphenoxy)acetate (PubChem CID 16772308) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(4-amino-3-methylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-3-methylphenoxy)acetate
PubChem CID16772308
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-(4-amino-3-methylphenoxy)acetate
SMILESCOC(=O)COc1ccc(N)c(C)c1
InChIInChI=1S/C10H13NO3/c1-7-5-8(3-4-9(7)11)14-6-10(12)13-2/h3-5H,6,11H2,1-2H3
InChIKeySGZRRAXRQWPIPB-UHFFFAOYSA-N
XLogP1.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-3-methylphenoxy)acetate?
The IUPAC name of methyl 2-(4-amino-3-methylphenoxy)acetate (CID 16772308) is methyl 2-(4-amino-3-methylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-amino-3-methylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-amino-3-methylphenoxy)acetate is COC(=O)COc1ccc(N)c(C)c1.
What is the InChIKey of methyl 2-(4-amino-3-methylphenoxy)acetate?
The InChIKey is SGZRRAXRQWPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-5-8(3-4-9(7)11)14-6-10(12)13-2/h3-5H,6,11H2,1-2H3.
What are the key properties of methyl 2-(4-amino-3-methylphenoxy)acetate?
methyl 2-(4-amino-3-methylphenoxy)acetate has a molecular weight of 195.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-3-methylphenoxy)acetate is sourced from PubChem (CID 16772308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).