(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione

C15H18N2O3 — CID 820458

IUPAC(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC[C@@H]2CCCO2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H18N2O3/c18-14-9-13(16-10-12-7-4-8-20-12)15(19)17(14)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2/t12-,13+/m0/s1
InChIKeyOMZNHAYDKPVXQO-QWHCGFSZSA-N
MW274.32 g/mol
LogP1.09
Rot. Bonds4

About (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione

(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 820458) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID820458
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC[C@@H]2CCCO2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H18N2O3/c18-14-9-13(16-10-12-7-4-8-20-12)15(19)17(14)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2/t12-,13+/m0/s1
InChIKeyOMZNHAYDKPVXQO-QWHCGFSZSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
CID 843067
3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 107417757
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
1-ethyl-3-(oxan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 55014287
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione
CID 699001
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541
(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 894163
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione (CID 820458) is (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione is O=C1C[C@@H](NC[C@@H]2CCCO2)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is OMZNHAYDKPVXQO-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-9-13(16-10-12-7-4-8-20-12)15(19)17(14)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2/t12-,13+/m0/s1.
What are the key properties of (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione?
(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 820458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).