2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid

C13H22N2O4 — CID 83191699

IUPAC2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)(NC(=O)C1CCC(=O)NC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-12(2,11(18)19)13(3,4)15-10(17)8-5-6-9(16)14-7-8/h8H,5-7H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRXXFTULGKYZNLF-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.52
Rot. Bonds4

About 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid

2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 83191699) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
PubChem CID83191699
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)(NC(=O)C1CCC(=O)NC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-12(2,11(18)19)13(3,4)15-10(17)8-5-6-9(16)14-7-8/h8H,5-7H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRXXFTULGKYZNLF-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (CID 83191699) is 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is CC(C)(NC(=O)C1CCC(=O)NC1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is RXXFTULGKYZNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,11(18)19)13(3,4)15-10(17)8-5-6-9(16)14-7-8/h8H,5-7H2,1-4H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 83191699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).