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

C14H16N2O5 — CID 102710812

IUPAC3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-7-11(14(19)20)16-13(18)9-2-4-10-8(6-9)3-5-12(17)15-10/h2,4,6,11H,3,5,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyFQLXTCSBWXPTIF-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.40
Rot. Bonds5

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

3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid (PubChem CID 102710812) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
PubChem CID102710812
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-7-11(14(19)20)16-13(18)9-2-4-10-8(6-9)3-5-12(17)15-10/h2,4,6,11H,3,5,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyFQLXTCSBWXPTIF-UHFFFAOYSA-N
XLogP0.40
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 120703080
(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
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
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
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 87020641
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid (CID 102710812) is 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid is COCC(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The InChIKey is FQLXTCSBWXPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-7-11(14(19)20)16-13(18)9-2-4-10-8(6-9)3-5-12(17)15-10/h2,4,6,11H,3,5,7H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102710812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).