2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid

C14H14N2O2 — CID 155500382

IUPAC2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
SMILESCc1cnc(N)c(-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C14H14N2O2/c1-9-5-12(14(15)16-8-9)11-4-2-3-10(6-11)7-13(17)18/h2-6,8H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyIXOOKMIXUZZFQA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.27
Rot. Bonds3

About 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid

2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid (PubChem CID 155500382) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
PubChem CID155500382
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
SMILESCc1cnc(N)c(-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C14H14N2O2/c1-9-5-12(14(15)16-8-9)11-4-2-3-10(6-11)7-13(17)18/h2-6,8H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyIXOOKMIXUZZFQA-UHFFFAOYSA-N
XLogP2.27
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid (CID 155500382) is 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid is Cc1cnc(N)c(-c2cccc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid?
The InChIKey is IXOOKMIXUZZFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-5-12(14(15)16-8-9)11-4-2-3-10(6-11)7-13(17)18/h2-6,8H,7H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid?
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid has a molecular weight of 242.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid is sourced from PubChem (CID 155500382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).