(3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid

C7H9F3N2O4 — CID 57376650

IUPAC(3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCC(=O)NC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c6-3-1-2-4(8)7-5(3)9;3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);(H,6,7)/t3-;/m0./s1
InChIKeyIOLMYDDAHXTLLS-DFWYDOINSA-N
MW242.15 g/mol
LogP-0.62
Rot. Bonds

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

(3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 57376650) has the molecular formula C7H9F3N2O4 and a molecular weight of 242.15 g/mol. Its IUPAC name is (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID57376650
Molecular FormulaC7H9F3N2O4
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name(3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCC(=O)NC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c6-3-1-2-4(8)7-5(3)9;3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);(H,6,7)/t3-;/m0./s1
InChIKeyIOLMYDDAHXTLLS-DFWYDOINSA-N
XLogP-0.62
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trifluoroacetic acid--3-aminopiperidine-2,6-dione (1/1)
CID 53447112
(3-Amino-2,6-dioxopiperidin-1-yl) 2,2,2-trifluoroacetate
CID 87349404
3-Amino-1-methylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 69186522
4-Aminopiperidine-2,6-dione 2,2,2-trifluoroacetate
CID 71434957
[(2,6-Dioxopiperidin-3-yl)amino] 2,2,2-trifluoroacetate
CID 89600305
(2,6-Dioxopiperidin-3-yl)azanium;2,2,2-trifluoroacetate
CID 112758593
5-Amino-3,3-difluoropiperidine-2,6-dione
CID 132133473
3-(2-Oxopiperazin-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 174175856
3-(Piperidin-4-ylamino)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 176254327
3-[(3R)-3-methylpiperazin-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 176398387
3-Piperazin-1-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 176398401
3-(1,4-Diazepan-1-yl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 176398431

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 57376650) is (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid is N[C@H]1CCC(=O)NC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is IOLMYDDAHXTLLS-DFWYDOINSA-N. The full InChI is InChI=1S/C5H8N2O2.C2HF3O2/c6-3-1-2-4(8)7-5(3)9;3-2(4,5)1(6)7/h3H,1-2,6H2,(H,7,8,9);(H,6,7)/t3-;/m0./s1.
What are the key properties of (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
(3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 242.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminopiperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 57376650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).