(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid

C16H17NO3 — CID 124516998

IUPAC(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid
SMILESCc1cc(=O)cc(C)n1C[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-8-14(18)9-12(2)17(11)10-15(16(19)20)13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyOAAMZLOAJNVBON-HNNXBMFYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds4

About (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid

(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid (PubChem CID 124516998) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid
PubChem CID124516998
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid
SMILESCc1cc(=O)cc(C)n1C[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-8-14(18)9-12(2)17(11)10-15(16(19)20)13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyOAAMZLOAJNVBON-HNNXBMFYSA-N
XLogP2.33
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid
CID 63073572
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-2-phenylpropanoic acid
CID 63271697
2-(4-chlorophenyl)-3-(4-methyl-2-oxoquinazolin-1-yl)propanoic acid
CID 70405849
4-oxo-2-phenylhexanoic acid
CID 13284198
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid
CID 103124356
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylpropanoic acid
CID 54772530
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 82692790
(2R)-5-methyl-2-phenylhex-4-enoic acid
CID 71722760
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
2-phenyl-3-phosphanylpropanoic acid
CID 174900432

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid?
The IUPAC name of (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid (CID 124516998) is (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid?
The canonical SMILES for (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid is Cc1cc(=O)cc(C)n1C[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid?
The InChIKey is OAAMZLOAJNVBON-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-8-14(18)9-12(2)17(11)10-15(16(19)20)13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid?
(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 124516998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).