2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid

C16H16N2O3 — CID 81455570

IUPAC2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C16H16N2O3/c19-15(6-5-12-7-9-17-10-8-12)18-14-4-2-1-3-13(14)11-16(20)21/h1-4,7-10H,5-6,11H2,(H,18,19)(H,20,21)
InChIKeyPKZVWDSWLGRYBR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid

2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid (PubChem CID 81455570) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
PubChem CID81455570
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C16H16N2O3/c19-15(6-5-12-7-9-17-10-8-12)18-14-4-2-1-3-13(14)11-16(20)21/h1-4,7-10H,5-6,11H2,(H,18,19)(H,20,21)
InChIKeyPKZVWDSWLGRYBR-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 107264616
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
2-[2-[3-(methylamino)propanoylamino]phenyl]acetic acid
CID 62536315
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478
3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
CID 107272370
3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497838
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid (CID 81455570) is 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)CCc1ccncc1.
What is the InChIKey of 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid?
The InChIKey is PKZVWDSWLGRYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(6-5-12-7-9-17-10-8-12)18-14-4-2-1-3-13(14)11-16(20)21/h1-4,7-10H,5-6,11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid?
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid is sourced from PubChem (CID 81455570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).