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

C16H16N2O4 — CID 120519111

IUPAC2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1
InChIInChI=1S/C16H16N2O4/c1-9(16(21)22)18(10-6-7-10)15(20)12-8-14(19)17-13-5-3-2-4-11(12)13/h2-5,8-10H,6-7H2,1H3,(H,17,19)(H,21,22)
InChIKeyHMCIONSPHMJGCM-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.61
Rot. Bonds4

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

2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid (PubChem CID 120519111) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
PubChem CID120519111
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1
InChIInChI=1S/C16H16N2O4/c1-9(16(21)22)18(10-6-7-10)15(20)12-8-14(19)17-13-5-3-2-4-11(12)13/h2-5,8-10H,6-7H2,1H3,(H,17,19)(H,21,22)
InChIKeyHMCIONSPHMJGCM-UHFFFAOYSA-N
XLogP1.61
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid (CID 120519111) is 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is HMCIONSPHMJGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9(16(21)22)18(10-6-7-10)15(20)12-8-14(19)17-13-5-3-2-4-11(12)13/h2-5,8-10H,6-7H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 300.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120519111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).