2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid

C15H14N2O3 — CID 110464860

IUPAC2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H14N2O3/c1-17(10-14(18)19)15(20)12-7-5-11(6-8-12)13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVSOYNPNXWLEECO-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.91
Rot. Bonds4

About 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid

2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid (PubChem CID 110464860) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
PubChem CID110464860
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H14N2O3/c1-17(10-14(18)19)15(20)12-7-5-11(6-8-12)13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVSOYNPNXWLEECO-UHFFFAOYSA-N
XLogP1.91
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid (CID 110464860) is 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid?
The InChIKey is VSOYNPNXWLEECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17(10-14(18)19)15(20)12-7-5-11(6-8-12)13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid?
2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid is sourced from PubChem (CID 110464860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).