2-[(4-phenyl-3-pyridinyl)amino]propanoic acid

C14H14N2O2 — CID 68530289

IUPAC2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
SMILESCC(Nc1cnccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C14H14N2O2/c1-10(14(17)18)16-13-9-15-8-7-12(13)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,17,18)
InChIKeyOAIDLTDJQUHJRF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.63
Rot. Bonds4

About 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid

2-[(4-phenyl-3-pyridinyl)amino]propanoic acid (PubChem CID 68530289) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
PubChem CID68530289
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
SMILESCC(Nc1cnccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C14H14N2O2/c1-10(14(17)18)16-13-9-15-8-7-12(13)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,17,18)
InChIKeyOAIDLTDJQUHJRF-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid (CID 68530289) is 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid is CC(Nc1cnccc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid?
The InChIKey is OAIDLTDJQUHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(14(17)18)16-13-9-15-8-7-12(13)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,17,18).
What are the key properties of 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid?
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-3-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 68530289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).