2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid

C14H20N2O4 — CID 69472879

IUPAC2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NCC(=O)O)c1=O
InChIInChI=1S/C14H20N2O4/c1-4-5-6-16-10(3)9(2)7-11(14(16)20)13(19)15-8-12(17)18/h7H,4-6,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOOPZMMZFFXWQIE-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.08
Rot. Bonds6

About 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid

2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid (PubChem CID 69472879) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
PubChem CID69472879
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NCC(=O)O)c1=O
InChIInChI=1S/C14H20N2O4/c1-4-5-6-16-10(3)9(2)7-11(14(16)20)13(19)15-8-12(17)18/h7H,4-6,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOOPZMMZFFXWQIE-UHFFFAOYSA-N
XLogP1.08
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid (CID 69472879) is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid is CCCCn1c(C)c(C)cc(C(=O)NCC(=O)O)c1=O.
What is the InChIKey of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
The InChIKey is OOPZMMZFFXWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-5-6-16-10(3)9(2)7-11(14(16)20)13(19)15-8-12(17)18/h7H,4-6,8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 69472879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).