4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid

C13H24N2O3 — CID 19995107

IUPAC4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid
SMILESCC1(C)CC(C(CC(N)=O)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C13H24N2O3/c1-12(2)6-8(7-13(3,4)15-12)9(11(17)18)5-10(14)16/h8-9,15H,5-7H2,1-4H3,(H2,14,16)(H,17,18)
InChIKeyVNTHSMPYKTYSFW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds4

About 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid

4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid (PubChem CID 19995107) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid
PubChem CID19995107
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid
SMILESCC1(C)CC(C(CC(N)=O)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C13H24N2O3/c1-12(2)6-8(7-13(3,4)15-12)9(11(17)18)5-10(14)16/h8-9,15H,5-7H2,1-4H3,(H2,14,16)(H,17,18)
InChIKeyVNTHSMPYKTYSFW-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid (CID 19995107) is 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid is CC1(C)CC(C(CC(N)=O)C(=O)O)CC(C)(C)N1.
What is the InChIKey of 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
The InChIKey is VNTHSMPYKTYSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2)6-8(7-13(3,4)15-12)9(11(17)18)5-10(14)16/h8-9,15H,5-7H2,1-4H3,(H2,14,16)(H,17,18).
What are the key properties of 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 19995107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).