2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid

C15H16N2O2 — CID 13054252

IUPAC2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid
SMILESCc1cc(C(C)C(=O)O)ccc1Nc1ccccn1
InChIInChI=1S/C15H16N2O2/c1-10-9-12(11(2)15(18)19)6-7-13(10)17-14-5-3-4-8-16-14/h3-9,11H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOCOMSNRMRIHAQJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.32
Rot. Bonds4

About 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid

2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid (PubChem CID 13054252) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid
PubChem CID13054252
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid
SMILESCc1cc(C(C)C(=O)O)ccc1Nc1ccccn1
InChIInChI=1S/C15H16N2O2/c1-10-9-12(11(2)15(18)19)6-7-13(10)17-14-5-3-4-8-16-14/h3-9,11H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOCOMSNRMRIHAQJ-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid?
The IUPAC name of 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid (CID 13054252) is 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid?
The canonical SMILES for 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid is Cc1cc(C(C)C(=O)O)ccc1Nc1ccccn1.
What is the InChIKey of 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid?
The InChIKey is OCOMSNRMRIHAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-9-12(11(2)15(18)19)6-7-13(10)17-14-5-3-4-8-16-14/h3-9,11H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid?
2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(pyridin-2-ylamino)phenyl]propanoic acid is sourced from PubChem (CID 13054252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).