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

C14H18N2O3 — CID 82501036

IUPAC3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
SMILESCN1C(=O)CCc2cc(CNCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-12-4-2-10(9-15-7-6-14(18)19)8-11(12)3-5-13(16)17/h2,4,8,15H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyWOGWQNLEOGCWRV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds5

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

3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid (PubChem CID 82501036) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
PubChem CID82501036
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
SMILESCN1C(=O)CCc2cc(CNCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-16-12-4-2-10(9-15-7-6-14(18)19)8-11(12)3-5-13(16)17/h2,4,8,15H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyWOGWQNLEOGCWRV-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82485649
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
6-[[(1-aminocyclopropyl)methylamino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115256654
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
CID 110781697
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
CID 110781684
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
CID 115129291
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-pentylacetamide
CID 110768592

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid?
The IUPAC name of 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid (CID 82501036) is 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid?
The canonical SMILES for 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid is CN1C(=O)CCc2cc(CNCCC(=O)O)ccc21.
What is the InChIKey of 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid?
The InChIKey is WOGWQNLEOGCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-12-4-2-10(9-15-7-6-14(18)19)8-11(12)3-5-13(16)17/h2,4,8,15H,3,5-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid?
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid is sourced from PubChem (CID 82501036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).