2-(methylamino)benzoate

C8H8NO2- — CID 6942392

IUPAC2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)[O-]
InChIInChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)/p-1
InChIKeyWVMBPWMAQDVZCM-UHFFFAOYSA-M
MW150.16 g/mol
LogP0.09
Rot. Bonds2

About 2-(methylamino)benzoate

2-(methylamino)benzoate (PubChem CID 6942392) has the molecular formula C8H8NO2- and a molecular weight of 150.16 g/mol. Its IUPAC name is 2-(methylamino)benzoate.

Molecular Properties

Compound Name2-(methylamino)benzoate
PubChem CID6942392
Molecular FormulaC8H8NO2-
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)[O-]
InChIInChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)/p-1
InChIKeyWVMBPWMAQDVZCM-UHFFFAOYSA-M
XLogP0.09
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)benzoate?
The IUPAC name of 2-(methylamino)benzoate (CID 6942392) is 2-(methylamino)benzoate.
What is the SMILES notation for 2-(methylamino)benzoate?
The canonical SMILES for 2-(methylamino)benzoate is CNc1ccccc1C(=O)[O-].
What is the InChIKey of 2-(methylamino)benzoate?
The InChIKey is WVMBPWMAQDVZCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)/p-1.
What are the key properties of 2-(methylamino)benzoate?
2-(methylamino)benzoate has a molecular weight of 150.16 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)benzoate is sourced from PubChem (CID 6942392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).