3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid

C14H20N2O2 — CID 79621871

IUPAC3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC(N)Cc2ccccc21)C(=O)O
InChIInChI=1S/C14H20N2O2/c1-14(2,13(17)18)9-16-8-11(15)7-10-5-3-4-6-12(10)16/h3-6,11H,7-9,15H2,1-2H3,(H,17,18)
InChIKeyNOWBJSVFIUVYHR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.49
Rot. Bonds3

About 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid

3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 79621871) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID79621871
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC(N)Cc2ccccc21)C(=O)O
InChIInChI=1S/C14H20N2O2/c1-14(2,13(17)18)9-16-8-11(15)7-10-5-3-4-6-12(10)16/h3-6,11H,7-9,15H2,1-2H3,(H,17,18)
InChIKeyNOWBJSVFIUVYHR-UHFFFAOYSA-N
XLogP1.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic 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-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid (CID 79621871) is 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CC(N)Cc2ccccc21)C(=O)O.
What is the InChIKey of 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is NOWBJSVFIUVYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,13(17)18)9-16-8-11(15)7-10-5-3-4-6-12(10)16/h3-6,11H,7-9,15H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid?
3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79621871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).