2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid

C12H22N2O3 — CID 43442331

IUPAC2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid
SMILESCC1CCCC(C)N1C(=O)CN(C)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9-5-4-6-10(2)14(9)11(15)7-13(3)8-12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyINOPDSJMOAXOEE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.79
Rot. Bonds4

About 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid

2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442331) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442331
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid
SMILESCC1CCCC(C)N1C(=O)CN(C)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9-5-4-6-10(2)14(9)11(15)7-13(3)8-12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyINOPDSJMOAXOEE-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid (CID 43442331) is 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid is CC1CCCC(C)N1C(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is INOPDSJMOAXOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-5-4-6-10(2)14(9)11(15)7-13(3)8-12(16)17/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid?
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).