3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid

C11H22N2O2 — CID 79670643

IUPAC3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid
SMILESCC1CC(N(C)CCC(=O)O)CCN1C
InChIInChI=1S/C11H22N2O2/c1-9-8-10(4-6-12(9)2)13(3)7-5-11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyGOPCJQDJVVLRAS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds4

About 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid

3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid (PubChem CID 79670643) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid
PubChem CID79670643
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid
SMILESCC1CC(N(C)CCC(=O)O)CCN1C
InChIInChI=1S/C11H22N2O2/c1-9-8-10(4-6-12(9)2)13(3)7-5-11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyGOPCJQDJVVLRAS-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid
CID 81468670
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid
CID 117005069
3-[methyl-[1-(3-methylbutyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004327
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
CID 60950966
(2S,4S)-N-cyclobutyl-N-(2-hydroxyethyl)-1,2-dimethylpiperidine-4-carboxamide
CID 126809870
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
3-[methyl-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004318
2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide
CID 125118083

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid?
The IUPAC name of 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid (CID 79670643) is 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid is CC1CC(N(C)CCC(=O)O)CCN1C.
What is the InChIKey of 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid?
The InChIKey is GOPCJQDJVVLRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-8-10(4-6-12(9)2)13(3)7-5-11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid?
3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid is sourced from PubChem (CID 79670643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).