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

C10H14N2O3 — CID 79163527

IUPAC3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
SMILESCc1ccc(O)c(CNCCC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-7-2-3-9(13)8(12-7)6-11-5-4-10(14)15/h2-3,11,13H,4-6H2,1H3,(H,14,15)
InChIKeyKDZGYTBBMDBIFA-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.66
Rot. Bonds5

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

3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid (PubChem CID 79163527) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
PubChem CID79163527
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
SMILESCc1ccc(O)c(CNCCC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-7-2-3-9(13)8(12-7)6-11-5-4-10(14)15/h2-3,11,13H,4-6H2,1H3,(H,14,15)
InChIKeyKDZGYTBBMDBIFA-UHFFFAOYSA-N
XLogP0.66
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
CID 79158335
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199
2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol
CID 115627139
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 113231668
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
CID 78928923
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294
4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-5-phenylpentanoic acid
CID 122045697
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol
CID 78928982

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid?
The IUPAC name of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid (CID 79163527) is 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid is Cc1ccc(O)c(CNCCC(=O)O)n1.
What is the InChIKey of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid?
The InChIKey is KDZGYTBBMDBIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-2-3-9(13)8(12-7)6-11-5-4-10(14)15/h2-3,11,13H,4-6H2,1H3,(H,14,15).
What are the key properties of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid?
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 79163527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).