3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid

C17H34N2O2 — CID 70580678

IUPAC3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid
SMILESCCCCN(CCC(=O)O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-7-8-10-19(11-9-15(20)21)14-12-16(2,3)18(6)17(4,5)13-14/h14H,7-13H2,1-6H3,(H,20,21)
InChIKeyBECAYQWAKSZWHM-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.21
Rot. Bonds7

About 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid

3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid (PubChem CID 70580678) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid
PubChem CID70580678
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid
SMILESCCCCN(CCC(=O)O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-7-8-10-19(11-9-15(20)21)14-12-16(2,3)18(6)17(4,5)13-14/h14H,7-13H2,1-6H3,(H,20,21)
InChIKeyBECAYQWAKSZWHM-UHFFFAOYSA-N
XLogP3.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid (CID 70580678) is 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid is CCCCN(CCC(=O)O)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid?
The InChIKey is BECAYQWAKSZWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-8-10-19(11-9-15(20)21)14-12-16(2,3)18(6)17(4,5)13-14/h14H,7-13H2,1-6H3,(H,20,21).
What are the key properties of 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid?
3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 70580678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).