1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

C11H14N2O4 — CID 62859788

IUPAC1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCC(N)=O)c(=O)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6-5-7(2)13(4-3-8(12)14)10(15)9(6)11(16)17/h5H,3-4H2,1-2H3,(H2,12,14)(H,16,17)
InChIKeyDPOIZMMAMFWAHH-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.04
Rot. Bonds4

About 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 62859788) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID62859788
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCC(N)=O)c(=O)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6-5-7(2)13(4-3-8(12)14)10(15)9(6)11(16)17/h5H,3-4H2,1-2H3,(H2,12,14)(H,16,17)
InChIKeyDPOIZMMAMFWAHH-UHFFFAOYSA-N
XLogP0.04
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 62859788) is 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1cc(C)n(CCC(N)=O)c(=O)c1C(=O)O.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is DPOIZMMAMFWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-5-7(2)13(4-3-8(12)14)10(15)9(6)11(16)17/h5H,3-4H2,1-2H3,(H2,12,14)(H,16,17).
What are the key properties of 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62859788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).