4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one

C11H21NO4 — CID 102938983

IUPAC4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H21NO4/c1-8(14)3-4-11(15)12-5-9(2)16-10(6-12)7-13/h8-10,13-14H,3-7H2,1-2H3
InChIKeyNMVAWTGXZHLGSJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.24
Rot. Bonds4

About 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one

4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one (PubChem CID 102938983) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
PubChem CID102938983
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H21NO4/c1-8(14)3-4-11(15)12-5-9(2)16-10(6-12)7-13/h8-10,13-14H,3-7H2,1-2H3
InChIKeyNMVAWTGXZHLGSJ-UHFFFAOYSA-N
XLogP-0.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
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
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one
CID 102934680
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(prop-2-enylamino)ethanone
CID 102932694
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The IUPAC name of 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one (CID 102938983) is 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The canonical SMILES for 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one is CC(O)CCC(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The InChIKey is NMVAWTGXZHLGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(14)3-4-11(15)12-5-9(2)16-10(6-12)7-13/h8-10,13-14H,3-7H2,1-2H3.
What are the key properties of 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one has a molecular weight of 231.29 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one is sourced from PubChem (CID 102938983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).