3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid

C14H14N2O4 — CID 60989084

IUPAC3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c1-16(7-6-13(18)19)14(20)11-8-12(17)9-4-2-3-5-10(9)15-11/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyIAQQUDVOWSSVLC-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.07
Rot. Bonds4

About 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid

3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid (PubChem CID 60989084) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
PubChem CID60989084
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c1-16(7-6-13(18)19)14(20)11-8-12(17)9-4-2-3-5-10(9)15-11/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyIAQQUDVOWSSVLC-UHFFFAOYSA-N
XLogP1.07
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid (CID 60989084) is 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The InChIKey is IAQQUDVOWSSVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-16(7-6-13(18)19)14(20)11-8-12(17)9-4-2-3-5-10(9)15-11/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60989084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).