3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid

C11H16N2O3 — CID 82216497

IUPAC3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(O)c1cccnc1
InChIInChI=1S/C11H16N2O3/c1-13(6-4-11(15)16)8-10(14)9-3-2-5-12-7-9/h2-3,5,7,10,14H,4,6,8H2,1H3,(H,15,16)
InChIKeyBQDSXTQNIPUREQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.52
Rot. Bonds6

About 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid

3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid (PubChem CID 82216497) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
PubChem CID82216497
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(O)c1cccnc1
InChIInChI=1S/C11H16N2O3/c1-13(6-4-11(15)16)8-10(14)9-3-2-5-12-7-9/h2-3,5,7,10,14H,4,6,8H2,1H3,(H,15,16)
InChIKeyBQDSXTQNIPUREQ-UHFFFAOYSA-N
XLogP0.52
TPSA73.66 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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
4-[propan-2-yl(1-pyridin-3-ylethyl)amino]butanoic acid
CID 65058589
3-[[2-hydroxy-2-(3-nitrophenyl)ethyl]-methylamino]propanoic acid
CID 82215993
3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]-methylamino]propanoic acid
CID 82215952
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131
3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216587
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid (CID 82216497) is 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid is CN(CCC(=O)O)CC(O)c1cccnc1.
What is the InChIKey of 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid?
The InChIKey is BQDSXTQNIPUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(6-4-11(15)16)8-10(14)9-3-2-5-12-7-9/h2-3,5,7,10,14H,4,6,8H2,1H3,(H,15,16).
What are the key properties of 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid?
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid is sourced from PubChem (CID 82216497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).