(3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione

C11H19NO3 — CID 45097321

IUPAC(3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione
SMILESCC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C11H19NO3/c1-6(2)8-11(14)15-9(7(3)4)10(13)12(8)5/h6-9H,1-5H3/t8-,9+/m0/s1
InChIKeyZVVKRSSQGWOPIS-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds2

About (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione

(3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione (PubChem CID 45097321) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione.

Molecular Properties

Compound Name(3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione
PubChem CID45097321
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione
SMILESCC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C11H19NO3/c1-6(2)8-11(14)15-9(7(3)4)10(13)12(8)5/h6-9H,1-5H3/t8-,9+/m0/s1
InChIKeyZVVKRSSQGWOPIS-DTWKUNHWSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
The IUPAC name of (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione (CID 45097321) is (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione.
What is the SMILES notation for (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
The canonical SMILES for (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione is CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N1C.
What is the InChIKey of (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
The InChIKey is ZVVKRSSQGWOPIS-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6(2)8-11(14)15-9(7(3)4)10(13)12(8)5/h6-9H,1-5H3/t8-,9+/m0/s1.
What are the key properties of (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
(3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione is sourced from PubChem (CID 45097321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).