(3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione

C16H21N2O3+ — CID 7377876

IUPAC(3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)C[C@H]([NH+]2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-12(13-5-3-2-4-6-13)18-15(19)11-14(16(18)20)17-7-9-21-10-8-17/h2-6,12,14H,7-11H2,1H3/p+1/t12-,14-/m0/s1
InChIKeyWAAUHEXNMRRHAK-JSGCOSHPSA-O
MW289.35 g/mol
LogP-0.21
Rot. Bonds3

About (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione

(3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 7377876) has the molecular formula C16H21N2O3+ and a molecular weight of 289.35 g/mol. Its IUPAC name is (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
PubChem CID7377876
Molecular FormulaC16H21N2O3+
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)C[C@H]([NH+]2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-12(13-5-3-2-4-6-13)18-15(19)11-14(16(18)20)17-7-9-21-10-8-17/h2-6,12,14H,7-11H2,1H3/p+1/t12-,14-/m0/s1
InChIKeyWAAUHEXNMRRHAK-JSGCOSHPSA-O
XLogP-0.21
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(3R)-3-morpholin-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7377881
(3S)-1-(2-methylphenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 2689041
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
(3R)-1-[(4-methylphenyl)methyl]-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 7455960
(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6925308
3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 3029673
(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one
CID 143715244
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
(3aS,7aS)-5-methyl-2-[(1R)-1-phenylethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 42100229
5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
CID 143715156

Frequently Asked Questions

What is the IUPAC name of (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione (CID 7377876) is (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione is C[C@@H](c1ccccc1)N1C(=O)C[C@H]([NH+]2CCOCC2)C1=O.
What is the InChIKey of (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is WAAUHEXNMRRHAK-JSGCOSHPSA-O. The full InChI is InChI=1S/C16H20N2O3/c1-12(13-5-3-2-4-6-13)18-15(19)11-14(16(18)20)17-7-9-21-10-8-17/h2-6,12,14H,7-11H2,1H3/p+1/t12-,14-/m0/s1.
What are the key properties of (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
(3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 289.35 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7377876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).