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

C11H16N2O4 — CID 145435857

IUPAC3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid
SMILESCOc1nc(C)ccc1CNC(CO)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-3-4-8(10(13-7)17-2)5-12-9(6-14)11(15)16/h3-4,9,12,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyGTTAFLKCASXXHJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.07
Rot. Bonds6

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

3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid (PubChem CID 145435857) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid
PubChem CID145435857
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid
SMILESCOc1nc(C)ccc1CNC(CO)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-3-4-8(10(13-7)17-2)5-12-9(6-14)11(15)16/h3-4,9,12,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyGTTAFLKCASXXHJ-UHFFFAOYSA-N
XLogP-0.07
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[[2-methoxy-6-[2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid
CID 138606872
3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid
CID 171489816
2-[[4-(4-chlorophenyl)-2-methoxyphenyl]methylamino]-3-hydroxypropanoic acid
CID 175174509
(2S)-4-[6-[[3-[3-[[5-[[[(1S)-1-carboxy-2-hydroxyethyl]amino]methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]-2-(hydroxymethyl)butanoic acid;sulfane
CID 161386219
2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine
CID 75532469
2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]propane-1,3-diol
CID 139572608
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 96532355
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol
CID 158916104
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid
CID 162645242

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid (CID 145435857) is 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid is COc1nc(C)ccc1CNC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid?
The InChIKey is GTTAFLKCASXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-3-4-8(10(13-7)17-2)5-12-9(6-14)11(15)16/h3-4,9,12,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid?
3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 145435857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).