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

C11H14N2O3 — CID 62674452

IUPAC2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESCC(CNC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16)6-13-10(14)5-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAHCSNVIJZAUYRI-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.46
Rot. Bonds5

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

2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid (PubChem CID 62674452) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
PubChem CID62674452
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESCC(CNC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16)6-13-10(14)5-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAHCSNVIJZAUYRI-UHFFFAOYSA-N
XLogP0.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
CID 66868100
CID 66868100
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid (CID 62674452) is 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid is CC(CNC(=O)Cc1cccnc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
The InChIKey is AHCSNVIJZAUYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(11(15)16)6-13-10(14)5-9-3-2-4-12-7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid?
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 62674452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).