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

C15H28N2O3 — CID 62822717

IUPAC2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N1CC(C)CC(C)C1)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-17(15(4,5)14(19)20)10-13(18)16-8-11(2)7-12(3)9-16/h11-12H,6-10H2,1-5H3,(H,19,20)
InChIKeyKOGDCXCNGUDQFP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.68
Rot. Bonds5

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

2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62822717) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62822717
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N1CC(C)CC(C)C1)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-17(15(4,5)14(19)20)10-13(18)16-8-11(2)7-12(3)9-16/h11-12H,6-10H2,1-5H3,(H,19,20)
InChIKeyKOGDCXCNGUDQFP-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (CID 62822717) is 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(=O)N1CC(C)CC(C)C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is KOGDCXCNGUDQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-17(15(4,5)14(19)20)10-13(18)16-8-11(2)7-12(3)9-16/h11-12H,6-10H2,1-5H3,(H,19,20).
What are the key properties of 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62822717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).