5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid

C13H23NO5 — CID 102932285

IUPAC5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC1CN(C(=O)CC(C)(C)CC(=O)O)CC(CO)O1
InChIInChI=1S/C13H23NO5/c1-9-6-14(7-10(8-15)19-9)11(16)4-13(2,3)5-12(17)18/h9-10,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyPVNGNIQZDLGDJL-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.49
Rot. Bonds5

About 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid

5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 102932285) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID102932285
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC1CN(C(=O)CC(C)(C)CC(=O)O)CC(CO)O1
InChIInChI=1S/C13H23NO5/c1-9-6-14(7-10(8-15)19-9)11(16)4-13(2,3)5-12(17)18/h9-10,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyPVNGNIQZDLGDJL-UHFFFAOYSA-N
XLogP0.49
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid (CID 102932285) is 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid is CC1CN(C(=O)CC(C)(C)CC(=O)O)CC(CO)O1.
What is the InChIKey of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is PVNGNIQZDLGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-9-6-14(7-10(8-15)19-9)11(16)4-13(2,3)5-12(17)18/h9-10,15H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid?
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 102932285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).