methyl 2-(3-amino-2-methylphenyl)acetate

C10H13NO2 — CID 67613932

IUPACmethyl 2-(3-amino-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cccc(N)c1C
InChIInChI=1S/C10H13NO2/c1-7-8(6-10(12)13-2)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeySYUJMOULALCXID-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.29
Rot. Bonds2

About methyl 2-(3-amino-2-methylphenyl)acetate

methyl 2-(3-amino-2-methylphenyl)acetate (PubChem CID 67613932) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-(3-amino-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-methylphenyl)acetate
PubChem CID67613932
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-(3-amino-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cccc(N)c1C
InChIInChI=1S/C10H13NO2/c1-7-8(6-10(12)13-2)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeySYUJMOULALCXID-UHFFFAOYSA-N
XLogP1.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(3-amino-2-methylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(3-amino-2-methylphenyl)acetate (CID 67613932) is methyl 2-(3-amino-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3-amino-2-methylphenyl)acetate is COC(=O)Cc1cccc(N)c1C.
What is the InChIKey of methyl 2-(3-amino-2-methylphenyl)acetate?
The InChIKey is SYUJMOULALCXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-8(6-10(12)13-2)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3.
What are the key properties of methyl 2-(3-amino-2-methylphenyl)acetate?
methyl 2-(3-amino-2-methylphenyl)acetate has a molecular weight of 179.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-methylphenyl)acetate is sourced from PubChem (CID 67613932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).