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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Related Compounds

3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
CID 79158335
N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 134164464
2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
CID 17371099
2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol
CID 122418730
N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-[(2S)-2-hydroxypropyl]-2-methoxyacetamide
CID 122420122
6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol
CID 82977420
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
2-[[cyclopentyl(methyl)amino]methyl]-6-methylpyridin-3-ol
CID 82975195
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanoic acid
CID 79158647
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-methylpyridin-3-ol
CID 82981586
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527

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).