3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid

C13H16N2O3 — CID 82480198

IUPAC3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
SMILESNC(CC(=O)O)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O3/c14-10(7-13(17)18)6-8-1-3-11-9(5-8)2-4-12(16)15-11/h1,3,5,10H,2,4,6-7,14H2,(H,15,16)(H,17,18)
InChIKeyYWBFNLSVTHILII-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.92
Rot. Bonds4

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

3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid (PubChem CID 82480198) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid.

Molecular Properties

Compound Name3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
PubChem CID82480198
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
SMILESNC(CC(=O)O)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O3/c14-10(7-13(17)18)6-8-1-3-11-9(5-8)2-4-12(16)15-11/h1,3,5,10H,2,4,6-7,14H2,(H,15,16)(H,17,18)
InChIKeyYWBFNLSVTHILII-UHFFFAOYSA-N
XLogP0.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120551
6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 82479600
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120823
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115122854

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
The IUPAC name of 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid (CID 82480198) is 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid.
What is the SMILES notation for 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
The canonical SMILES for 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid is NC(CC(=O)O)Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
The InChIKey is YWBFNLSVTHILII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-10(7-13(17)18)6-8-1-3-11-9(5-8)2-4-12(16)15-11/h1,3,5,10H,2,4,6-7,14H2,(H,15,16)(H,17,18).
What are the key properties of 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid is sourced from PubChem (CID 82480198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).