Methyl Anthranilate

C8H9NO2 — CID 8635

IUPACmethyl 2-aminobenzoate
SMILESCOC(=O)C1=CC=CC=C1N
InChIInChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
InChIKeyVAMXMNNIEUEQDV-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.90
Rot. Bonds2

About Methyl Anthranilate

Methyl Anthranilate (PubChem CID 8635) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl 2-aminobenzoate.

Molecular Properties

Compound NameMethyl Anthranilate
PubChem CID8635
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl 2-aminobenzoate
SMILESCOC(=O)C1=CC=CC=C1N
InChIInChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
InChIKeyVAMXMNNIEUEQDV-UHFFFAOYSA-N
XLogP1.90
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity147

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 Anthranilate?
The IUPAC name of Methyl Anthranilate (CID 8635) is methyl 2-aminobenzoate.
What is the SMILES notation for Methyl Anthranilate?
The canonical SMILES for Methyl Anthranilate is COC(=O)C1=CC=CC=C1N.
What is the InChIKey of Methyl Anthranilate?
The InChIKey is VAMXMNNIEUEQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3.
What are the key properties of Methyl Anthranilate?
Methyl Anthranilate has a molecular weight of 151.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl Anthranilate is sourced from PubChem (CID 8635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).