3-amino-2-methylbenzoic acid

C8H9NO2 — CID 2733699

IUPAC3-amino-2-methylbenzoic acid
SMILESCc1c(N)cccc1C(=O)O
InChIInChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKeyBYHMLZGICSEKIY-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.28
Rot. Bonds1

About 3-amino-2-methylbenzoic acid

3-amino-2-methylbenzoic acid (PubChem CID 2733699) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-amino-2-methylbenzoic acid.

Molecular Properties

Compound Name3-amino-2-methylbenzoic acid
PubChem CID2733699
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-amino-2-methylbenzoic acid
SMILESCc1c(N)cccc1C(=O)O
InChIInChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKeyBYHMLZGICSEKIY-UHFFFAOYSA-N
XLogP1.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylbenzoic acid?
The IUPAC name of 3-amino-2-methylbenzoic acid (CID 2733699) is 3-amino-2-methylbenzoic acid.
What is the SMILES notation for 3-amino-2-methylbenzoic acid?
The canonical SMILES for 3-amino-2-methylbenzoic acid is Cc1c(N)cccc1C(=O)O.
What is the InChIKey of 3-amino-2-methylbenzoic acid?
The InChIKey is BYHMLZGICSEKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-2-methylbenzoic acid?
3-amino-2-methylbenzoic acid has a molecular weight of 151.16 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylbenzoic acid is sourced from PubChem (CID 2733699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).