(5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one

C11H19NO4 — CID 155041383

IUPAC(5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one
SMILESC[C@@H]1OC(C[C@@H]2NC(=O)CO[C@@H]2C)O[C@@H]1C
InChIInChI=1S/C11H19NO4/c1-6-7(2)16-11(15-6)4-9-8(3)14-5-10(13)12-9/h6-9,11H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8-,9+,11?/m1/s1
InChIKeyBQDRCERNSRZCKI-BUFOXMIFSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds2

About (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one

(5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one (PubChem CID 155041383) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name(5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one
PubChem CID155041383
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one
SMILESC[C@@H]1OC(C[C@@H]2NC(=O)CO[C@@H]2C)O[C@@H]1C
InChIInChI=1S/C11H19NO4/c1-6-7(2)16-11(15-6)4-9-8(3)14-5-10(13)12-9/h6-9,11H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8-,9+,11?/m1/s1
InChIKeyBQDRCERNSRZCKI-BUFOXMIFSA-N
XLogP0.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one?
The IUPAC name of (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one (CID 155041383) is (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one?
The canonical SMILES for (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one is C[C@@H]1OC(C[C@@H]2NC(=O)CO[C@@H]2C)O[C@@H]1C.
What is the InChIKey of (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one?
The InChIKey is BQDRCERNSRZCKI-BUFOXMIFSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-7(2)16-11(15-6)4-9-8(3)14-5-10(13)12-9/h6-9,11H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8-,9+,11?/m1/s1.
What are the key properties of (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one?
(5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one has a molecular weight of 229.28 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 155041383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).