2-[(2-methylquinolin-4-yl)amino]propanoic acid

C13H14N2O2 — CID 43525417

IUPAC2-[(2-methylquinolin-4-yl)amino]propanoic acid
SMILESCc1cc(NC(C)C(=O)O)c2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-8-7-12(15-9(2)13(16)17)10-5-3-4-6-11(10)14-8/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyVFAKRIIWLHLNOX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.43
Rot. Bonds3

About 2-[(2-methylquinolin-4-yl)amino]propanoic acid

2-[(2-methylquinolin-4-yl)amino]propanoic acid (PubChem CID 43525417) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)amino]propanoic acid
PubChem CID43525417
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[(2-methylquinolin-4-yl)amino]propanoic acid
SMILESCc1cc(NC(C)C(=O)O)c2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-8-7-12(15-9(2)13(16)17)10-5-3-4-6-11(10)14-8/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyVFAKRIIWLHLNOX-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylquinolin-4-yl)amino]propanoic 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

methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
CID 55107861
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid
CID 57447632
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(2-methylquinolin-4-yl)amino]propanoic acid (CID 43525417) is 2-[(2-methylquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)amino]propanoic acid is Cc1cc(NC(C)C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)amino]propanoic acid?
The InChIKey is VFAKRIIWLHLNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-7-12(15-9(2)13(16)17)10-5-3-4-6-11(10)14-8/h3-7,9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-methylquinolin-4-yl)amino]propanoic acid?
2-[(2-methylquinolin-4-yl)amino]propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 43525417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).