2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid

C15H16N2O6 — CID 67388041

IUPAC2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
SMILESCOc1cccc2c(O)c(C(=O)NC(C)C(=O)O)c(=O)n(C)c12
InChIInChI=1S/C15H16N2O6/c1-7(15(21)22)16-13(19)10-12(18)8-5-4-6-9(23-3)11(8)17(2)14(10)20/h4-7,18H,1-3H3,(H,16,19)(H,21,22)
InChIKeyYSWVYBJIIYDZLZ-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.46
Rot. Bonds4

About 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid

2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid (PubChem CID 67388041) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
PubChem CID67388041
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
SMILESCOc1cccc2c(O)c(C(=O)NC(C)C(=O)O)c(=O)n(C)c12
InChIInChI=1S/C15H16N2O6/c1-7(15(21)22)16-13(19)10-12(18)8-5-4-6-9(23-3)11(8)17(2)14(10)20/h4-7,18H,1-3H3,(H,16,19)(H,21,22)
InChIKeyYSWVYBJIIYDZLZ-UHFFFAOYSA-N
XLogP0.46
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 67387665
methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 54712188
(2R)-2-[[4-hydroxy-1-methyl-2-oxo-7-(trifluoromethyl)quinoline-3-carbonyl]amino]propanoic acid
CID 59340081
(2S)-2-[[(2S)-2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]amino]propanoic acid
CID 7070161
3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one
CID 67841246
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid
CID 67086615
(2S)-2-[(3,6-difluoro-2-methoxybenzoyl)amino]propanoic acid
CID 119943315
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid (CID 67388041) is 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid is COc1cccc2c(O)c(C(=O)NC(C)C(=O)O)c(=O)n(C)c12.
What is the InChIKey of 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
The InChIKey is YSWVYBJIIYDZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-7(15(21)22)16-13(19)10-12(18)8-5-4-6-9(23-3)11(8)17(2)14(10)20/h4-7,18H,1-3H3,(H,16,19)(H,21,22).
What are the key properties of 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid has a molecular weight of 320.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67388041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).