3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid

C10H13NO3 — CID 82527174

IUPAC3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
SMILESCCn1cccc(CCC(=O)O)c1=O
InChIInChI=1S/C10H13NO3/c1-2-11-7-3-4-8(10(11)14)5-6-9(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyADGLPKLXDQWYTI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.89
Rot. Bonds4

About 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid

3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid (PubChem CID 82527174) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
PubChem CID82527174
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
SMILESCCn1cccc(CCC(=O)O)c1=O
InChIInChI=1S/C10H13NO3/c1-2-11-7-3-4-8(10(11)14)5-6-9(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyADGLPKLXDQWYTI-UHFFFAOYSA-N
XLogP0.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic 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-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82527096
3-(3-aminopropyl)-1-ethylpyridin-2-one
CID 105438966
1-ethyl-3-(ethylaminomethyl)pyridin-2-one
CID 82527243
3-[1-(2-methylpropyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82526723
3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526557
3-[4-(1-ethyl-2-oxo-3-pyridinyl)pyridazin-1-ium-1-yl]propanoic acid
CID 154674571
3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)propanoic acid
CID 82525308
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid
CID 22973373
1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 120605821
3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82525236
3-(4-ethyl-5-oxo-1,2,4-triazin-6-yl)propanoic acid
CID 82048380

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid (CID 82527174) is 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid is CCn1cccc(CCC(=O)O)c1=O.
What is the InChIKey of 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid?
The InChIKey is ADGLPKLXDQWYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-11-7-3-4-8(10(11)14)5-6-9(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid?
3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid is sourced from PubChem (CID 82527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).