3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid

C15H28N2O3 — CID 82323209

IUPAC3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(=O)N(CC(C)C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H28N2O3/c1-10(13(19)20)9-17(11(2)18)12-7-14(3,4)16-15(5,6)8-12/h10,12,16H,7-9H2,1-6H3,(H,19,20)
InChIKeyBVZUYMXYJQERBX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.86
Rot. Bonds4

About 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid

3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 82323209) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID82323209
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(=O)N(CC(C)C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H28N2O3/c1-10(13(19)20)9-17(11(2)18)12-7-14(3,4)16-15(5,6)8-12/h10,12,16H,7-9H2,1-6H3,(H,19,20)
InChIKeyBVZUYMXYJQERBX-UHFFFAOYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid (CID 82323209) is 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid is CC(=O)N(CC(C)C(=O)O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is BVZUYMXYJQERBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(13(19)20)9-17(11(2)18)12-7-14(3,4)16-15(5,6)8-12/h10,12,16H,7-9H2,1-6H3,(H,19,20).
What are the key properties of 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid?
3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).