2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid

C10H14N2O3 — CID 67574838

IUPAC2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCCc1ccn(C(C)C(=O)O)c(=O)c1N
InChIInChI=1S/C10H14N2O3/c1-3-7-4-5-12(6(2)10(14)15)9(13)8(7)11/h4-6H,3,11H2,1-2H3,(H,14,15)
InChIKeyWMXGHMARQLJUFV-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.64
Rot. Bonds3

About 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid

2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 67574838) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid
PubChem CID67574838
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCCc1ccn(C(C)C(=O)O)c(=O)c1N
InChIInChI=1S/C10H14N2O3/c1-3-7-4-5-12(6(2)10(14)15)9(13)8(7)11/h4-6H,3,11H2,1-2H3,(H,14,15)
InChIKeyWMXGHMARQLJUFV-UHFFFAOYSA-N
XLogP0.64
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid (CID 67574838) is 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid is CCc1ccn(C(C)C(=O)O)c(=O)c1N.
What is the InChIKey of 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is WMXGHMARQLJUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-7-4-5-12(6(2)10(14)15)9(13)8(7)11/h4-6H,3,11H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid?
2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 67574838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).