3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid

C11H20N2O3 — CID 110837310

IUPAC3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCCC(C(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-12-6-3-4-9(8-12)11(16)13(2)7-5-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyHIXPPUWUCPQAQI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.26
Rot. Bonds4

About 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid

3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 110837310) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID110837310
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCCC(C(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-12-6-3-4-9(8-12)11(16)13(2)7-5-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyHIXPPUWUCPQAQI-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
N,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886
methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 55207954
3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362266
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
3-[(3-fluorocyclohexanecarbonyl)-methylamino]propanoic acid
CID 122126118
3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
3-methyl-2-[methyl-(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 110837306
3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 125150139
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid (CID 110837310) is 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid is CN1CCCC(C(=O)N(C)CCC(=O)O)C1.
What is the InChIKey of 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is HIXPPUWUCPQAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-6-3-4-9(8-12)11(16)13(2)7-5-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110837310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).