1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione

C7H12N2O2 — CID 30813187

IUPAC1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
SMILESC[C@H](N)CN1C(=O)CCC1=O
InChIInChI=1S/C7H12N2O2/c1-5(8)4-9-6(10)2-3-7(9)11/h5H,2-4,8H2,1H3/t5-/m0/s1
InChIKeyOCNUCVCYTBPNDM-YFKPBYRVSA-N
MW156.19 g/mol
LogP-0.52
Rot. Bonds2

About 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione

1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione (PubChem CID 30813187) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
PubChem CID30813187
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
SMILESC[C@H](N)CN1C(=O)CCC1=O
InChIInChI=1S/C7H12N2O2/c1-5(8)4-9-6(10)2-3-7(9)11/h5H,2-4,8H2,1H3/t5-/m0/s1
InChIKeyOCNUCVCYTBPNDM-YFKPBYRVSA-N
XLogP-0.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione (CID 30813187) is 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione is C[C@H](N)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione?
The InChIKey is OCNUCVCYTBPNDM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(8)4-9-6(10)2-3-7(9)11/h5H,2-4,8H2,1H3/t5-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione?
1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione has a molecular weight of 156.19 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 30813187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).