3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid

C11H16N2O3 — CID 79158335

IUPAC3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
SMILESCc1ccc(O)c(CN(C)CCC(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-8-3-4-10(14)9(12-8)7-13(2)6-5-11(15)16/h3-4,14H,5-7H2,1-2H3,(H,15,16)
InChIKeySVZSGSIYCWSUHA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.00
Rot. Bonds5

About 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid

3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid (PubChem CID 79158335) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
PubChem CID79158335
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
SMILESCc1ccc(O)c(CN(C)CCC(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-8-3-4-10(14)9(12-8)7-13(2)6-5-11(15)16/h3-4,14H,5-7H2,1-2H3,(H,15,16)
InChIKeySVZSGSIYCWSUHA-UHFFFAOYSA-N
XLogP1.00
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
The IUPAC name of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid (CID 79158335) is 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid is Cc1ccc(O)c(CN(C)CCC(=O)O)n1.
What is the InChIKey of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
The InChIKey is SVZSGSIYCWSUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-3-4-10(14)9(12-8)7-13(2)6-5-11(15)16/h3-4,14H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 79158335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).