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

C13H16N2O4 — CID 114242135

IUPACmethyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
SMILESCOC(=O)C(CN)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-18-13(17)11(7-14)19-9-3-4-10-8(6-9)2-5-12(16)15-10/h3-4,6,11H,2,5,7,14H2,1H3,(H,15,16)
InChIKeyGIMJQLXKQNNVKD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.45
Rot. Bonds4

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

methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate (PubChem CID 114242135) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
PubChem CID114242135
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
SMILESCOC(=O)C(CN)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-18-13(17)11(7-14)19-9-3-4-10-8(6-9)2-5-12(16)15-10/h3-4,6,11H,2,5,7,14H2,1H3,(H,15,16)
InChIKeyGIMJQLXKQNNVKD-UHFFFAOYSA-N
XLogP0.45
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate with MolForge

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Related Compounds

methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
CID 76915648
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 114357832
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-(1-amino-2-methylpropan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 113422602
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
The IUPAC name of methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate (CID 114242135) is methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate.
What is the SMILES notation for methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
The canonical SMILES for methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate is COC(=O)C(CN)Oc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
The InChIKey is GIMJQLXKQNNVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-13(17)11(7-14)19-9-3-4-10-8(6-9)2-5-12(16)15-10/h3-4,6,11H,2,5,7,14H2,1H3,(H,15,16).
What are the key properties of methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate has a molecular weight of 264.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate is sourced from PubChem (CID 114242135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).