(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione

C13H16N2O2 — CID 7377821

IUPAC(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@H](N[C@H]1CC(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9(10-6-4-3-5-7-10)14-11-8-12(16)15(2)13(11)17/h3-7,9,11,14H,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyOTIMFDDQWBRHNR-ONGXEEELSA-N
MW232.28 g/mol
LogP1.09
Rot. Bonds3

About (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione

(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione (PubChem CID 7377821) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
PubChem CID7377821
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@H](N[C@H]1CC(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9(10-6-4-3-5-7-10)14-11-8-12(16)15(2)13(11)17/h3-7,9,11,14H,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyOTIMFDDQWBRHNR-ONGXEEELSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
1-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358037
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029
1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358036
3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54964613
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358017
1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
CID 43636150
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358021
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358023
1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
CID 55153501
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54955058
(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 98079235

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione (CID 7377821) is (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione is C[C@H](N[C@H]1CC(=O)N(C)C1=O)c1ccccc1.
What is the InChIKey of (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione?
The InChIKey is OTIMFDDQWBRHNR-ONGXEEELSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(10-6-4-3-5-7-10)14-11-8-12(16)15(2)13(11)17/h3-7,9,11,14H,8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione?
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 7377821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).