4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid

C13H26N2O3 — CID 115122756

IUPAC4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid
SMILESCN1CCCC(CN(C)CC(O)CCC(=O)O)C1
InChIInChI=1S/C13H26N2O3/c1-14-7-3-4-11(8-14)9-15(2)10-12(16)5-6-13(17)18/h11-12,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyZZBQNCCGMABJKL-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.49
Rot. Bonds7

About 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid

4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid (PubChem CID 115122756) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid
PubChem CID115122756
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid
SMILESCN1CCCC(CN(C)CC(O)CCC(=O)O)C1
InChIInChI=1S/C13H26N2O3/c1-14-7-3-4-11(8-14)9-15(2)10-12(16)5-6-13(17)18/h11-12,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyZZBQNCCGMABJKL-UHFFFAOYSA-N
XLogP0.49
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
CID 115250032
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
CID 115250966
4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 170730006
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837529
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
CID 79315558
[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
4-[2-hydroxy-3-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]propoxy]benzonitrile
CID 111431876
1-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111488240

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid?
The IUPAC name of 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid (CID 115122756) is 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid?
The canonical SMILES for 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid is CN1CCCC(CN(C)CC(O)CCC(=O)O)C1.
What is the InChIKey of 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid?
The InChIKey is ZZBQNCCGMABJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-14-7-3-4-11(8-14)9-15(2)10-12(16)5-6-13(17)18/h11-12,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid?
4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.49, 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-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid is sourced from PubChem (CID 115122756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).