2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid

C15H16N2O3 — CID 70058157

IUPAC2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid
SMILESNc1c(CCc2ccccc2)c(CC(=O)O)c[nH]c1=O
InChIInChI=1S/C15H16N2O3/c16-14-12(7-6-10-4-2-1-3-5-10)11(8-13(18)19)9-17-15(14)20/h1-5,9H,6-8,16H2,(H,17,20)(H,18,19)
InChIKeyFEYVKQKVASGRRL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.37
Rot. Bonds5

About 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid

2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid (PubChem CID 70058157) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid
PubChem CID70058157
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid
SMILESNc1c(CCc2ccccc2)c(CC(=O)O)c[nH]c1=O
InChIInChI=1S/C15H16N2O3/c16-14-12(7-6-10-4-2-1-3-5-10)11(8-13(18)19)9-17-15(14)20/h1-5,9H,6-8,16H2,(H,17,20)(H,18,19)
InChIKeyFEYVKQKVASGRRL-UHFFFAOYSA-N
XLogP1.37
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-5-(2-phenylethyl)-1H-pyridin-2-one
CID 71187181
2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid
CID 28690277
5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione
CID 166951494
2-amino-4-methyl-3-(2-phenylethyl)benzamide
CID 18468730
2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
CID 131870509
2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid
CID 71816172
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid (CID 70058157) is 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid is Nc1c(CCc2ccccc2)c(CC(=O)O)c[nH]c1=O.
What is the InChIKey of 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid?
The InChIKey is FEYVKQKVASGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-14-12(7-6-10-4-2-1-3-5-10)11(8-13(18)19)9-17-15(14)20/h1-5,9H,6-8,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid?
2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 70058157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).