3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid

C11H16N2O3 — CID 82239881

IUPAC3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
SMILESCOCC(C)(NCc1cccnc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(8-16-2,10(14)15)13-7-9-4-3-5-12-6-9/h3-6,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyLONLTIBPVKCRRH-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.66
Rot. Bonds6

About 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid

3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid (PubChem CID 82239881) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
PubChem CID82239881
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
SMILESCOCC(C)(NCc1cccnc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(8-16-2,10(14)15)13-7-9-4-3-5-12-6-9/h3-6,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyLONLTIBPVKCRRH-UHFFFAOYSA-N
XLogP0.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid
CID 120531886
3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 115001276
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
CID 6463081
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid
CID 115002340
methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate
CID 75500018
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
(pyridin-3-ylmethylamino)carbamic acid
CID 154450692
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid (CID 82239881) is 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid is COCC(C)(NCc1cccnc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid?
The InChIKey is LONLTIBPVKCRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(8-16-2,10(14)15)13-7-9-4-3-5-12-6-9/h3-6,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid?
3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 82239881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).