3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid

C16H19NO3 — CID 82124052

IUPAC3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
SMILESCN1C(=O)CCc2cc(C(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C16H19NO3/c1-17-14-6-4-11(8-12(14)5-7-15(17)18)13(9-16(19)20)10-2-3-10/h4,6,8,10,13H,2-3,5,7,9H2,1H3,(H,19,20)
InChIKeyUEOKSGDXAABNNP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.56
Rot. Bonds4

About 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid

3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid (PubChem CID 82124052) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
PubChem CID82124052
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
SMILESCN1C(=O)CCc2cc(C(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C16H19NO3/c1-17-14-6-4-11(8-12(14)5-7-15(17)18)13(9-16(19)20)10-2-3-10/h4,6,8,10,13H,2-3,5,7,9H2,1H3,(H,19,20)
InChIKeyUEOKSGDXAABNNP-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125
3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117436278
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106687

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid (CID 82124052) is 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid is CN1C(=O)CCc2cc(C(CC(=O)O)C3CC3)ccc21.
What is the InChIKey of 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
The InChIKey is UEOKSGDXAABNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17-14-6-4-11(8-12(14)5-7-15(17)18)13(9-16(19)20)10-2-3-10/h4,6,8,10,13H,2-3,5,7,9H2,1H3,(H,19,20).
What are the key properties of 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid?
3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid is sourced from PubChem (CID 82124052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).