2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid

C13H13N3O4 — CID 70665818

IUPAC2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCc1c(C(=O)NCC(=O)O)c(=O)n(C)c2cnccc12
InChIInChI=1S/C13H13N3O4/c1-7-8-3-4-14-5-9(8)16(2)13(20)11(7)12(19)15-6-10(17)18/h3-5H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVYBYLOYCGNLCCF-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.06
Rot. Bonds3

About 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid

2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid (PubChem CID 70665818) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid
PubChem CID70665818
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCc1c(C(=O)NCC(=O)O)c(=O)n(C)c2cnccc12
InChIInChI=1S/C13H13N3O4/c1-7-8-3-4-14-5-9(8)16(2)13(20)11(7)12(19)15-6-10(17)18/h3-5H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVYBYLOYCGNLCCF-UHFFFAOYSA-N
XLogP0.06
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid (CID 70665818) is 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid is Cc1c(C(=O)NCC(=O)O)c(=O)n(C)c2cnccc12.
What is the InChIKey of 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
The InChIKey is VYBYLOYCGNLCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-8-3-4-14-5-9(8)16(2)13(20)11(7)12(19)15-6-10(17)18/h3-5H,6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethyl-2-oxo-1,7-naphthyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 70665818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).