2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid

C13H20N2O2 — CID 115219667

IUPAC2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
SMILESCC(CNCC(C)(C)c1cccnc1)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-10(12(16)17)7-15-9-13(2,3)11-5-4-6-14-8-11/h4-6,8,10,15H,7,9H2,1-3H3,(H,16,17)
InChIKeyZWRHLRCZDAYNBH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds6

About 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid

2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid (PubChem CID 115219667) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
PubChem CID115219667
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
SMILESCC(CNCC(C)(C)c1cccnc1)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-10(12(16)17)7-15-9-13(2,3)11-5-4-6-14-8-11/h4-6,8,10,15H,7,9H2,1-3H3,(H,16,17)
InChIKeyZWRHLRCZDAYNBH-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)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

2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115165229
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid (CID 115219667) is 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid is CC(CNCC(C)(C)c1cccnc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
The InChIKey is ZWRHLRCZDAYNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(12(16)17)7-15-9-13(2,3)11-5-4-6-14-8-11/h4-6,8,10,15H,7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid is sourced from PubChem (CID 115219667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).