methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate

C13H16N2O3 — CID 116940124

IUPACmethyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
SMILESCOC(=O)CC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O3/c1-18-13(17)7-10(14)8-2-4-11-9(6-8)3-5-12(16)15-11/h2,4,6,10H,3,5,7,14H2,1H3,(H,15,16)
InChIKeyQGIBIKIWFZOJLE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.13
Rot. Bonds3

About methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate

methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate (PubChem CID 116940124) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
PubChem CID116940124
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
SMILESCOC(=O)CC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O3/c1-18-13(17)7-10(14)8-2-4-11-9(6-8)3-5-12(16)15-11/h2,4,6,10H,3,5,7,14H2,1H3,(H,15,16)
InChIKeyQGIBIKIWFZOJLE-UHFFFAOYSA-N
XLogP1.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
CID 60860810
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
CID 55995306
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
CID 62942189
6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116859940

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The IUPAC name of methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate (CID 116940124) is methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The canonical SMILES for methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate is COC(=O)CC(N)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The InChIKey is QGIBIKIWFZOJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-13(17)7-10(14)8-2-4-11-9(6-8)3-5-12(16)15-11/h2,4,6,10H,3,5,7,14H2,1H3,(H,15,16).
What are the key properties of methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate has a molecular weight of 248.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate is sourced from PubChem (CID 116940124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).