(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide

C6H11BrN2O2 — CID 66643102

IUPAC(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide
SMILESBr.C[C@]1(N)CCC(=O)NC1=O
InChIInChI=1S/C6H10N2O2.BrH/c1-6(7)3-2-4(9)8-5(6)10;/h2-3,7H2,1H3,(H,8,9,10);1H/t6-;/m0./s1
InChIKeyKLXHHRQZQKDYDC-RGMNGODLSA-N
MW223.07 g/mol
LogP-0.28
Rot. Bonds

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

(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide (PubChem CID 66643102) has the molecular formula C6H11BrN2O2 and a molecular weight of 223.07 g/mol. Its IUPAC name is (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide.

Molecular Properties

Compound Name(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide
PubChem CID66643102
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide
SMILESBr.C[C@]1(N)CCC(=O)NC1=O
InChIInChI=1S/C6H10N2O2.BrH/c1-6(7)3-2-4(9)8-5(6)10;/h2-3,7H2,1H3,(H,8,9,10);1H/t6-;/m0./s1
InChIKeyKLXHHRQZQKDYDC-RGMNGODLSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 5-0.28
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-amino-3-methylpiperidine-2,6-dione;hydrobromide?
The IUPAC name of (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide (CID 66643102) is (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide.
What is the SMILES notation for (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide?
The canonical SMILES for (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide is Br.C[C@]1(N)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide?
The InChIKey is KLXHHRQZQKDYDC-RGMNGODLSA-N. The full InChI is InChI=1S/C6H10N2O2.BrH/c1-6(7)3-2-4(9)8-5(6)10;/h2-3,7H2,1H3,(H,8,9,10);1H/t6-;/m0./s1.
What are the key properties of (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide?
(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide has a molecular weight of 223.07 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide is sourced from PubChem (CID 66643102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).