(3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione

C10H17N3O3 — CID 124863979

IUPAC(3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione
SMILESCN1CCO[C@H](CN[C@H]2CC(=O)NC2=O)C1
InChIInChI=1S/C10H17N3O3/c1-13-2-3-16-7(6-13)5-11-8-4-9(14)12-10(8)15/h7-8,11H,2-6H2,1H3,(H,12,14,15)/t7-,8+/m1/s1
InChIKeyWCLQUWCZLCGRHP-SFYZADRCSA-N
MW227.26 g/mol
LogP-1.68
Rot. Bonds3

About (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione

(3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione (PubChem CID 124863979) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione
PubChem CID124863979
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione
SMILESCN1CCO[C@H](CN[C@H]2CC(=O)NC2=O)C1
InChIInChI=1S/C10H17N3O3/c1-13-2-3-16-7(6-13)5-11-8-4-9(14)12-10(8)15/h7-8,11H,2-6H2,1H3,(H,12,14,15)/t7-,8+/m1/s1
InChIKeyWCLQUWCZLCGRHP-SFYZADRCSA-N
XLogP-1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

5-[(4-methylmorpholin-2-yl)methylamino]piperidin-2-one
CID 79171800
5-[(4-methylmorpholin-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108016
4,4-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79032963
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]oxolan-3-amine
CID 75525404
1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777308
1-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 79082528
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79083040
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777205
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149463

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione (CID 124863979) is (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione is CN1CCO[C@H](CN[C@H]2CC(=O)NC2=O)C1.
What is the InChIKey of (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione?
The InChIKey is WCLQUWCZLCGRHP-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-13-2-3-16-7(6-13)5-11-8-4-9(14)12-10(8)15/h7-8,11H,2-6H2,1H3,(H,12,14,15)/t7-,8+/m1/s1.
What are the key properties of (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione?
(3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione has a molecular weight of 227.26 g/mol, XLogP of -1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2R)-4-methylmorpholin-2-yl]methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 124863979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).