2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid

C16H30N2O4 — CID 22679034

IUPAC2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid
SMILESCC(ON1C(C)(C)CCCC1(C)C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C16H30N2O4/c1-11(12(19)17-16(6,7)13(20)21)22-18-14(2,3)9-8-10-15(18,4)5/h11H,8-10H2,1-7H3,(H,17,19)(H,20,21)
InChIKeyVXNRYKNXYFZDRW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.33
Rot. Bonds5

About 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid

2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid (PubChem CID 22679034) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid
PubChem CID22679034
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid
SMILESCC(ON1C(C)(C)CCCC1(C)C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C16H30N2O4/c1-11(12(19)17-16(6,7)13(20)21)22-18-14(2,3)9-8-10-15(18,4)5/h11H,8-10H2,1-7H3,(H,17,19)(H,20,21)
InChIKeyVXNRYKNXYFZDRW-UHFFFAOYSA-N
XLogP2.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid (CID 22679034) is 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid is CC(ON1C(C)(C)CCCC1(C)C)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid?
The InChIKey is VXNRYKNXYFZDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-11(12(19)17-16(6,7)13(20)21)22-18-14(2,3)9-8-10-15(18,4)5/h11H,8-10H2,1-7H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid?
2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid has a molecular weight of 314.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid is sourced from PubChem (CID 22679034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).