(3S)-3-aminopiperidine-2,6-dione;hydrobromide

C5H9BrN2O2 — CID 11984187

IUPAC(3S)-3-aminopiperidine-2,6-dione;hydrobromide
SMILESBr.N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2.BrH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H/t3-;/m0./s1
InChIKeyPWGRLXLAQOHQKX-DFWYDOINSA-N
MW209.04 g/mol
LogP-0.67
Rot. Bonds

About (3S)-3-aminopiperidine-2,6-dione;hydrobromide

(3S)-3-aminopiperidine-2,6-dione;hydrobromide (PubChem CID 11984187) has the molecular formula C5H9BrN2O2 and a molecular weight of 209.04 g/mol. Its IUPAC name is (3S)-3-aminopiperidine-2,6-dione;hydrobromide.

Molecular Properties

Compound Name(3S)-3-aminopiperidine-2,6-dione;hydrobromide
PubChem CID11984187
Molecular FormulaC5H9BrN2O2
Molecular Weight209.04 g/mol
Exact Mass207.98
IUPAC Name(3S)-3-aminopiperidine-2,6-dione;hydrobromide
SMILESBr.N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2.BrH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H/t3-;/m0./s1
InChIKeyPWGRLXLAQOHQKX-DFWYDOINSA-N
XLogP-0.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminopiperidine-2,6-dione;hydrobromide?
The IUPAC name of (3S)-3-aminopiperidine-2,6-dione;hydrobromide (CID 11984187) is (3S)-3-aminopiperidine-2,6-dione;hydrobromide.
What is the SMILES notation for (3S)-3-aminopiperidine-2,6-dione;hydrobromide?
The canonical SMILES for (3S)-3-aminopiperidine-2,6-dione;hydrobromide is Br.N[C@H]1CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-aminopiperidine-2,6-dione;hydrobromide?
The InChIKey is PWGRLXLAQOHQKX-DFWYDOINSA-N. The full InChI is InChI=1S/C5H8N2O2.BrH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H/t3-;/m0./s1.
What are the key properties of (3S)-3-aminopiperidine-2,6-dione;hydrobromide?
(3S)-3-aminopiperidine-2,6-dione;hydrobromide has a molecular weight of 209.04 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminopiperidine-2,6-dione;hydrobromide is sourced from PubChem (CID 11984187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).