5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid

C15H28N2O4 — CID 54309616

IUPAC5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid
SMILESCC1(C)CCCN(OC(=O)C(N)CCCC(=O)O)C1(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2)9-6-10-17(15(14,3)4)21-13(20)11(16)7-5-8-12(18)19/h11H,5-10,16H2,1-4H3,(H,18,19)
InChIKeySJZDWENGIMUOAH-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds6

About 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid

5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid (PubChem CID 54309616) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid.

Molecular Properties

Compound Name5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid
PubChem CID54309616
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid
SMILESCC1(C)CCCN(OC(=O)C(N)CCCC(=O)O)C1(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2)9-6-10-17(15(14,3)4)21-13(20)11(16)7-5-8-12(18)19/h11H,5-10,16H2,1-4H3,(H,18,19)
InChIKeySJZDWENGIMUOAH-UHFFFAOYSA-N
XLogP1.93
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid?
The IUPAC name of 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid (CID 54309616) is 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid.
What is the SMILES notation for 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid?
The canonical SMILES for 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid is CC1(C)CCCN(OC(=O)C(N)CCCC(=O)O)C1(C)C.
What is the InChIKey of 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid?
The InChIKey is SJZDWENGIMUOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2)9-6-10-17(15(14,3)4)21-13(20)11(16)7-5-8-12(18)19/h11H,5-10,16H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid?
5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-oxo-6-(2,2,3,3-tetramethylpiperidin-1-yl)oxyhexanoic acid is sourced from PubChem (CID 54309616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).