3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid

C16H16N2O3 — CID 115339339

IUPAC3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Cc2cccnc2)c1
InChIInChI=1S/C16H16N2O3/c19-15(10-13-4-2-8-17-11-13)18-14-5-1-3-12(9-14)6-7-16(20)21/h1-5,8-9,11H,6-7,10H2,(H,18,19)(H,20,21)
InChIKeyMROSIKLAGGUSDK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.28
Rot. Bonds6

About 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid

3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid (PubChem CID 115339339) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
PubChem CID115339339
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Cc2cccnc2)c1
InChIInChI=1S/C16H16N2O3/c19-15(10-13-4-2-8-17-11-13)18-14-5-1-3-12(9-14)6-7-16(20)21/h1-5,8-9,11H,6-7,10H2,(H,18,19)(H,20,21)
InChIKeyMROSIKLAGGUSDK-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 ≤ 500284.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
3-[3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]phenyl]propanoic acid
CID 120613865
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 167797489
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
CID 131865555
CID 66868100
CID 66868100
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid (CID 115339339) is 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)Cc2cccnc2)c1.
What is the InChIKey of 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
The InChIKey is MROSIKLAGGUSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(10-13-4-2-8-17-11-13)18-14-5-1-3-12(9-14)6-7-16(20)21/h1-5,8-9,11H,6-7,10H2,(H,18,19)(H,20,21).
What are the key properties of 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid has a molecular weight of 284.31 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 3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).