3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid

C15H20N2O4 — CID 117099675

IUPAC3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid
SMILESCOCN1C(=O)CCc2cc(N(C)CCC(=O)O)ccc21
InChIInChI=1S/C15H20N2O4/c1-16(8-7-15(19)20)12-4-5-13-11(9-12)3-6-14(18)17(13)10-21-2/h4-5,9H,3,6-8,10H2,1-2H3,(H,19,20)
InChIKeyOSRYOHMEBYACQA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.48
Rot. Bonds6

About 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid

3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid (PubChem CID 117099675) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid
PubChem CID117099675
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid
SMILESCOCN1C(=O)CCc2cc(N(C)CCC(=O)O)ccc21
InChIInChI=1S/C15H20N2O4/c1-16(8-7-15(19)20)12-4-5-13-11(9-12)3-6-14(18)17(13)10-21-2/h4-5,9H,3,6-8,10H2,1-2H3,(H,19,20)
InChIKeyOSRYOHMEBYACQA-UHFFFAOYSA-N
XLogP1.48
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid (CID 117099675) is 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid is COCN1C(=O)CCc2cc(N(C)CCC(=O)O)ccc21.
What is the InChIKey of 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid?
The InChIKey is OSRYOHMEBYACQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(8-7-15(19)20)12-4-5-13-11(9-12)3-6-14(18)17(13)10-21-2/h4-5,9H,3,6-8,10H2,1-2H3,(H,19,20).
What are the key properties of 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid?
3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-methylamino]propanoic acid is sourced from PubChem (CID 117099675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).