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

C14H14N2O2 — CID 3059294

IUPAC2-[4-(pyridin-2-ylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C14H14N2O2/c1-10(14(17)18)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-10H,1H3,(H,15,16)(H,17,18)
InChIKeyAHBKHOGVLKUYAT-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.01
Rot. Bonds4

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

2-[4-(pyridin-2-ylamino)phenyl]propanoic acid (PubChem CID 3059294) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylamino)phenyl]propanoic acid
PubChem CID3059294
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[4-(pyridin-2-ylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C14H14N2O2/c1-10(14(17)18)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-10H,1H3,(H,15,16)(H,17,18)
InChIKeyAHBKHOGVLKUYAT-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azd-9684
CID 87609775
Terbogrel
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(7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 10069974
Bisanilinopyrimidine, 6j
CID 70702139
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CID 350697
6-{3-[2-cyano-1-cyclopropylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid
CID 9930263
6-{3-[2-cyano-1-isopropylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid
CID 10524500
7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-7-(3-pyridyl)-(E)-6-heptenoic acid
CID 10526115
6-{3-[2-cyano-1-cyclohexylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid
CID 10526677
6-{3-[2-cyano-1-isopentylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid
CID 10550018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid?
The IUPAC name of 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid (CID 3059294) is 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid is CC(C(=O)O)c1ccc(Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid?
The InChIKey is AHBKHOGVLKUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(14(17)18)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-10H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid?
2-[4-(pyridin-2-ylamino)phenyl]propanoic acid has a molecular weight of 242.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylamino)phenyl]propanoic acid is sourced from PubChem (CID 3059294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).