3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid

C15H18N2O3 — CID 122060767

IUPAC3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCc1ccc2nccc(NCC(C)(O)C(=O)O)c2c1
InChIInChI=1S/C15H18N2O3/c1-3-10-4-5-12-11(8-10)13(6-7-16-12)17-9-15(2,20)14(18)19/h4-8,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCXHMLBJNCYZECT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.04
Rot. Bonds5

About 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122060767) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122060767
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCc1ccc2nccc(NCC(C)(O)C(=O)O)c2c1
InChIInChI=1S/C15H18N2O3/c1-3-10-4-5-12-11(8-10)13(6-7-16-12)17-9-15(2,20)14(18)19/h4-8,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCXHMLBJNCYZECT-UHFFFAOYSA-N
XLogP2.04
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid (CID 122060767) is 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid is CCc1ccc2nccc(NCC(C)(O)C(=O)O)c2c1.
What is the InChIKey of 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is CXHMLBJNCYZECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-10-4-5-12-11(8-10)13(6-7-16-12)17-9-15(2,20)14(18)19/h4-8,20H,3,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122060767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).