tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate

C10H16N2O4 — CID 135207516

IUPACtert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1(N)CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-9(2,3)16-8(15)10(11)5-4-6(13)12-7(10)14/h4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyBEPFKOMZUCZWRO-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.54
Rot. Bonds1

About tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate

tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate (PubChem CID 135207516) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate
PubChem CID135207516
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nametert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1(N)CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-9(2,3)16-8(15)10(11)5-4-6(13)12-7(10)14/h4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyBEPFKOMZUCZWRO-UHFFFAOYSA-N
XLogP-0.54
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate?
The IUPAC name of tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate (CID 135207516) is tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate is CC(C)(C)OC(=O)C1(N)CCC(=O)NC1=O.
What is the InChIKey of tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate?
The InChIKey is BEPFKOMZUCZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-9(2,3)16-8(15)10(11)5-4-6(13)12-7(10)14/h4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate?
tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate has a molecular weight of 228.25 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 135207516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).