4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid

C15H18N2O5 — CID 120703080

IUPAC4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-22-7-6-12(15(20)21)17-14(19)10-2-4-11-9(8-10)3-5-13(18)16-11/h2,4,8,12H,3,5-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyXGEZUUZEUJFXKO-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.79
Rot. Bonds6

About 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid

4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid (PubChem CID 120703080) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
PubChem CID120703080
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-22-7-6-12(15(20)21)17-14(19)10-2-4-11-9(8-10)3-5-13(18)16-11/h2,4,8,12H,3,5-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyXGEZUUZEUJFXKO-UHFFFAOYSA-N
XLogP0.79
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712434
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
4-methoxy-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 120701904
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 119201550
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid (CID 120703080) is 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid is COCCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
The InChIKey is XGEZUUZEUJFXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-22-7-6-12(15(20)21)17-14(19)10-2-4-11-9(8-10)3-5-13(18)16-11/h2,4,8,12H,3,5-7H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid has a molecular weight of 306.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120703080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).