2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid

C13H12N2O5 — CID 54707039

IUPAC2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccccc21
InChIInChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
InChIKeyUMQOTZCXVAMZNY-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.06
Rot. Bonds3

About 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid (PubChem CID 54707039) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
PubChem CID54707039
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccccc21
InChIInChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
InChIKeyUMQOTZCXVAMZNY-UHFFFAOYSA-N
XLogP0.06
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid (CID 54707039) is 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccccc21.
What is the InChIKey of 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is UMQOTZCXVAMZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17).
What are the key properties of 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 276.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54707039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).