3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid

C14H20N2O4 — CID 62825994

IUPAC3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)c1c(C)cc(C)[nH]c1=O)C(C)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-5-16(10(4)7-11(17)18)14(20)12-8(2)6-9(3)15-13(12)19/h6,10H,5,7H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyBKFRBAGITNCIFC-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.32
Rot. Bonds5

About 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid

3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid (PubChem CID 62825994) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid
PubChem CID62825994
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)c1c(C)cc(C)[nH]c1=O)C(C)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-5-16(10(4)7-11(17)18)14(20)12-8(2)6-9(3)15-13(12)19/h6,10H,5,7H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyBKFRBAGITNCIFC-UHFFFAOYSA-N
XLogP1.32
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid?
The IUPAC name of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid (CID 62825994) is 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid.
What is the SMILES notation for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid?
The canonical SMILES for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid is CCN(C(=O)c1c(C)cc(C)[nH]c1=O)C(C)CC(=O)O.
What is the InChIKey of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid?
The InChIKey is BKFRBAGITNCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-16(10(4)7-11(17)18)14(20)12-8(2)6-9(3)15-13(12)19/h6,10H,5,7H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid?
3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-ethylamino]butanoic acid is sourced from PubChem (CID 62825994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).