3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C14H26N2O3 — CID 55007604

IUPAC3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCC1CC(C)CN(C(=O)CN(C)CC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-5-11(2)7-16(6-10)13(17)9-15(4)8-12(3)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeyNHDZOBUUALQYJC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.14
Rot. Bonds5

About 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55007604) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID55007604
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCC1CC(C)CN(C(=O)CN(C)CC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-5-11(2)7-16(6-10)13(17)9-15(4)8-12(3)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeyNHDZOBUUALQYJC-UHFFFAOYSA-N
XLogP1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 55007604) is 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is CC1CC(C)CN(C(=O)CN(C)CC(C)C(=O)O)C1.
What is the InChIKey of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is NHDZOBUUALQYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-5-11(2)7-16(6-10)13(17)9-15(4)8-12(3)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).