4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid

C12H18N2O3 — CID 115122746

IUPAC4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCN(Cc1cccnc1)CC(O)CCC(=O)O
InChIInChI=1S/C12H18N2O3/c1-14(8-10-3-2-6-13-7-10)9-11(15)4-5-12(16)17/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyAYTBLJISESJQPO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.74
Rot. Bonds7

About 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid

4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid (PubChem CID 115122746) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
PubChem CID115122746
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCN(Cc1cccnc1)CC(O)CCC(=O)O
InChIInChI=1S/C12H18N2O3/c1-14(8-10-3-2-6-13-7-10)9-11(15)4-5-12(16)17/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyAYTBLJISESJQPO-UHFFFAOYSA-N
XLogP0.74
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
CID 115123658
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
5-[(3,4-dimethylphenyl)methyl-methylamino]-4-hydroxypentanoic acid
CID 115122727
2-acetamido-3-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 64582503
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
CID 42926568
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 43563730

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The IUPAC name of 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid (CID 115122746) is 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid is CN(Cc1cccnc1)CC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The InChIKey is AYTBLJISESJQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(8-10-3-2-6-13-7-10)9-11(15)4-5-12(16)17/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 115122746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).