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

C12H20N2O4 — CID 83193717

IUPAC2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-12(4-2,11(17)18)14-10(16)8-5-6-9(15)13-7-8/h8H,3-7H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQGERERHJLPDLIT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.27
Rot. Bonds5

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

2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 83193717) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
PubChem CID83193717
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-12(4-2,11(17)18)14-10(16)8-5-6-9(15)13-7-8/h8H,3-7H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQGERERHJLPDLIT-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (CID 83193717) is 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is QGERERHJLPDLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-12(4-2,11(17)18)14-10(16)8-5-6-9(15)13-7-8/h8H,3-7H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 83193717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).