3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione

C8H13N3O2 — CID 115302325

IUPAC3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione
SMILESN[C@H]1CCN(C2CC(=O)NC2=O)C1
InChIInChI=1S/C8H13N3O2/c9-5-1-2-11(4-5)6-3-7(12)10-8(6)13/h5-6H,1-4,9H2,(H,10,12,13)/t5-,6?/m0/s1
InChIKeyCMEMJFUFXPQNNB-ZBHICJROSA-N
MW183.21 g/mol
LogP-1.57
Rot. Bonds1

About 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione

3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 115302325) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione
PubChem CID115302325
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione
SMILESN[C@H]1CCN(C2CC(=O)NC2=O)C1
InChIInChI=1S/C8H13N3O2/c9-5-1-2-11(4-5)6-3-7(12)10-8(6)13/h5-6H,1-4,9H2,(H,10,12,13)/t5-,6?/m0/s1
InChIKeyCMEMJFUFXPQNNB-ZBHICJROSA-N
XLogP-1.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 23170957
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
(3S)-3-(azepan-1-yl)pyrrolidine-2,5-dione
CID 98139557
3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 104976660
4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
CID 115302335
4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide
CID 26415603
3-(3-methylpiperidin-1-yl)piperidine-2,6-dione
CID 170639071
3-[5-[(3S)-3-aminopiperidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880578
3-amino-1-methyl-3,3a,4,7a-tetrahydro-2H-pyrrolo[2,3-c]pyridine-5,7-dione
CID 82407230
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 68704432
(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 92527515

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione (CID 115302325) is 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione is N[C@H]1CCN(C2CC(=O)NC2=O)C1.
What is the InChIKey of 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is CMEMJFUFXPQNNB-ZBHICJROSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-5-1-2-11(4-5)6-3-7(12)10-8(6)13/h5-6H,1-4,9H2,(H,10,12,13)/t5-,6?/m0/s1.
What are the key properties of 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione?
3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of -1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 115302325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).