(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione

C8H14N2O2 — CID 166506249

IUPAC(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCN)C(=O)[C@@H]1C
InChIInChI=1S/C8H14N2O2/c1-5-6(2)8(12)10(4-3-9)7(5)11/h5-6H,3-4,9H2,1-2H3/t5-,6+
InChIKeyQDXOTDCQDTWKNL-OLQVQODUSA-N
MW170.21 g/mol
LogP-0.41
Rot. Bonds2

About (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione

(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 166506249) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID166506249
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCN)C(=O)[C@@H]1C
InChIInChI=1S/C8H14N2O2/c1-5-6(2)8(12)10(4-3-9)7(5)11/h5-6H,3-4,9H2,1-2H3/t5-,6+
InChIKeyQDXOTDCQDTWKNL-OLQVQODUSA-N
XLogP-0.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.41
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 (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 166506249) is (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione is C[C@@H]1C(=O)N(CCN)C(=O)[C@@H]1C.
What is the InChIKey of (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is QDXOTDCQDTWKNL-OLQVQODUSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-6(2)8(12)10(4-3-9)7(5)11/h5-6H,3-4,9H2,1-2H3/t5-,6+.
What are the key properties of (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione?
(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 166506249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).