2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid

C15H18N2O2 — CID 55007348

IUPAC2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
SMILESCC(CN(C)Cc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-11(15(18)19)9-17(2)10-12-5-6-14-13(8-12)4-3-7-16-14/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyXPQSTQDKSFERNI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid

2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid (PubChem CID 55007348) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
PubChem CID55007348
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
SMILESCC(CN(C)Cc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-11(15(18)19)9-17(2)10-12-5-6-14-13(8-12)4-3-7-16-14/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyXPQSTQDKSFERNI-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl(quinolin-6-ylmethyl)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

1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
2-methyl-3-oxo-3-phenylpropanoic acid;6-(2-methylpropyl)quinoline
CID 70351332
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
CID 79268844
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
2-methyl-3-[methyl-[[6-(N-methylanilino)-3-pyridinyl]methyl]amino]propanoic acid
CID 122047069
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425
N-(2-fluorophenyl)-2-[methyl(quinolin-6-ylmethyl)amino]acetamide
CID 134702606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid (CID 55007348) is 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid is CC(CN(C)Cc1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid?
The InChIKey is XPQSTQDKSFERNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(15(18)19)9-17(2)10-12-5-6-14-13(8-12)4-3-7-16-14/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid?
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 55007348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).