3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione

C9H15N3O2 — CID 80562122

IUPAC3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
SMILESNC1CC(NC2CCC(=O)NC2=O)C1
InChIInChI=1S/C9H15N3O2/c10-5-3-6(4-5)11-7-1-2-8(13)12-9(7)14/h5-7,11H,1-4,10H2,(H,12,13,14)
InChIKeyIGVDEXLLXWSPQF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.13
Rot. Bonds2

About 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione

3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione (PubChem CID 80562122) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
PubChem CID80562122
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
SMILESNC1CC(NC2CCC(=O)NC2=O)C1
InChIInChI=1S/C9H15N3O2/c10-5-3-6(4-5)11-7-1-2-8(13)12-9(7)14/h5-7,11H,1-4,10H2,(H,12,13,14)
InChIKeyIGVDEXLLXWSPQF-UHFFFAOYSA-N
XLogP-1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione (CID 80562122) is 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione is NC1CC(NC2CCC(=O)NC2=O)C1.
What is the InChIKey of 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione?
The InChIKey is IGVDEXLLXWSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-5-3-6(4-5)11-7-1-2-8(13)12-9(7)14/h5-7,11H,1-4,10H2,(H,12,13,14).
What are the key properties of 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione?
3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione has a molecular weight of 197.24 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 80562122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).