3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid

C13H12N2O3 — CID 62953963

IUPAC3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
SMILESCc1ccc2cccc(NC(=O)CC(=O)O)c2n1
InChIInChI=1S/C13H12N2O3/c1-8-5-6-9-3-2-4-10(13(9)14-8)15-11(16)7-12(17)18/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyBOHLORJIVCRACA-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.96
Rot. Bonds3

About 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid

3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid (PubChem CID 62953963) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
PubChem CID62953963
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
SMILESCc1ccc2cccc(NC(=O)CC(=O)O)c2n1
InChIInChI=1S/C13H12N2O3/c1-8-5-6-9-3-2-4-10(13(9)14-8)15-11(16)7-12(17)18/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyBOHLORJIVCRACA-UHFFFAOYSA-N
XLogP1.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic 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

2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 62954623
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
CID 63666962
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid (CID 62953963) is 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid is Cc1ccc2cccc(NC(=O)CC(=O)O)c2n1.
What is the InChIKey of 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid?
The InChIKey is BOHLORJIVCRACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-5-6-9-3-2-4-10(13(9)14-8)15-11(16)7-12(17)18/h2-6H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid?
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62953963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).