methyl 2-(2-methylanilino)acetate

C10H13NO2 — CID 18793909

IUPACmethyl 2-(2-methylanilino)acetate
SMILESCOC(=O)CNc1ccccc1C
InChIInChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)11-7-10(12)13-2/h3-6,11H,7H2,1-2H3
InChIKeyBZZQMGVCAVCNKO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.58
Rot. Bonds3

About methyl 2-(2-methylanilino)acetate

methyl 2-(2-methylanilino)acetate (PubChem CID 18793909) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-(2-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylanilino)acetate
PubChem CID18793909
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-(2-methylanilino)acetate
SMILESCOC(=O)CNc1ccccc1C
InChIInChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)11-7-10(12)13-2/h3-6,11H,7H2,1-2H3
InChIKeyBZZQMGVCAVCNKO-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylanilino)acetate?
The IUPAC name of methyl 2-(2-methylanilino)acetate (CID 18793909) is methyl 2-(2-methylanilino)acetate.
What is the SMILES notation for methyl 2-(2-methylanilino)acetate?
The canonical SMILES for methyl 2-(2-methylanilino)acetate is COC(=O)CNc1ccccc1C.
What is the InChIKey of methyl 2-(2-methylanilino)acetate?
The InChIKey is BZZQMGVCAVCNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)11-7-10(12)13-2/h3-6,11H,7H2,1-2H3.
What are the key properties of methyl 2-(2-methylanilino)acetate?
methyl 2-(2-methylanilino)acetate has a molecular weight of 179.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylanilino)acetate is sourced from PubChem (CID 18793909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).