2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid

C12H13N3O6 — CID 130337763

IUPAC2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCN1Cc2[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c2CC1=O
InChIInChI=1S/C12H13N3O6/c1-15-4-6-5(2-7(15)16)10(19)9(12(21)14-6)11(20)13-3-8(17)18/h2-4H2,1H3,(H,13,20)(H,17,18)(H2,14,19,21)
InChIKeyRJTXSTYKTKLPIO-UHFFFAOYSA-N
MW295.25 g/mol
LogP-1.59
Rot. Bonds3

About 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid (PubChem CID 130337763) has the molecular formula C12H13N3O6 and a molecular weight of 295.25 g/mol. Its IUPAC name is 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid
PubChem CID130337763
Molecular FormulaC12H13N3O6
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCN1Cc2[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c2CC1=O
InChIInChI=1S/C12H13N3O6/c1-15-4-6-5(2-7(15)16)10(19)9(12(21)14-6)11(20)13-3-8(17)18/h2-4H2,1H3,(H,13,20)(H,17,18)(H2,14,19,21)
InChIKeyRJTXSTYKTKLPIO-UHFFFAOYSA-N
XLogP-1.59
TPSA139.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid (CID 130337763) is 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid is CN1Cc2[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c2CC1=O.
What is the InChIKey of 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
The InChIKey is RJTXSTYKTKLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O6/c1-15-4-6-5(2-7(15)16)10(19)9(12(21)14-6)11(20)13-3-8(17)18/h2-4H2,1H3,(H,13,20)(H,17,18)(H2,14,19,21).
What are the key properties of 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid has a molecular weight of 295.25 g/mol, XLogP of -1.59, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 130337763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).