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

C11H16N2O3 — CID 79156630

IUPAC2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
SMILESCc1ccc(O)c(CN(C)C(C)C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-7-4-5-10(14)9(12-7)6-13(3)8(2)11(15)16/h4-5,8,14H,6H2,1-3H3,(H,15,16)
InChIKeyPKRFQPTZQPJFEN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.00
Rot. Bonds4

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

2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid (PubChem CID 79156630) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
PubChem CID79156630
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
SMILESCc1ccc(O)c(CN(C)C(C)C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-7-4-5-10(14)9(12-7)6-13(3)8(2)11(15)16/h4-5,8,14H,6H2,1-3H3,(H,15,16)
InChIKeyPKRFQPTZQPJFEN-UHFFFAOYSA-N
XLogP1.00
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid (CID 79156630) is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid is Cc1ccc(O)c(CN(C)C(C)C(=O)O)n1.
What is the InChIKey of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
The InChIKey is PKRFQPTZQPJFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-4-5-10(14)9(12-7)6-13(3)8(2)11(15)16/h4-5,8,14H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid?
2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 79156630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).