(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one

C15H24N2O5S — CID 95276913

IUPAC(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](C)CO1
InChIInChI=1S/C15H24N2O5S/c1-10-8-22-11(2)6-16(10)15(19)12-5-14(18)17(7-12)13-3-4-23(20,21)9-13/h10-13H,3-9H2,1-2H3/t10-,11-,12-,13-/m1/s1
InChIKeyNUVJRAYMTFGXDJ-FDYHWXHSSA-N
MW344.43 g/mol
LogP-0.34
Rot. Bonds2

About (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one

(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one (PubChem CID 95276913) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one
PubChem CID95276913
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](C)CO1
InChIInChI=1S/C15H24N2O5S/c1-10-8-22-11(2)6-16(10)15(19)12-5-14(18)17(7-12)13-3-4-23(20,21)9-13/h10-13H,3-9H2,1-2H3/t10-,11-,12-,13-/m1/s1
InChIKeyNUVJRAYMTFGXDJ-FDYHWXHSSA-N
XLogP-0.34
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one (CID 95276913) is (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one is C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](C)CO1.
What is the InChIKey of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one?
The InChIKey is NUVJRAYMTFGXDJ-FDYHWXHSSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-10-8-22-11(2)6-16(10)15(19)12-5-14(18)17(7-12)13-3-4-23(20,21)9-13/h10-13H,3-9H2,1-2H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one?
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one has a molecular weight of 344.43 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 95276913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).