methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate

C11H21NO4 — CID 114777322

IUPACmethyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
SMILESCOC(=O)C(C)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H21NO4/c1-8(10(14)15-4)12-5-9(6-13)16-11(2,3)7-12/h8-9,13H,5-7H2,1-4H3
InChIKeyFXWRDIDTJGABHV-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds3

About methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate

methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate (PubChem CID 114777322) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
PubChem CID114777322
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
SMILESCOC(=O)C(C)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H21NO4/c1-8(10(14)15-4)12-5-9(6-13)16-11(2,3)7-12/h8-9,13H,5-7H2,1-4H3
InChIKeyFXWRDIDTJGABHV-UHFFFAOYSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanamide
CID 114779602
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
CID 114777135
(6,6-dimethyl-4-pentan-2-ylmorpholin-2-yl)methanol
CID 107886053
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776412
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide
CID 114782484
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114782402
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
CID 114779182
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 114777452
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
CID 104969817

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate?
The IUPAC name of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate (CID 114777322) is methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate.
What is the SMILES notation for methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate?
The canonical SMILES for methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate is COC(=O)C(C)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate?
The InChIKey is FXWRDIDTJGABHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(10(14)15-4)12-5-9(6-13)16-11(2,3)7-12/h8-9,13H,5-7H2,1-4H3.
What are the key properties of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate?
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate has a molecular weight of 231.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate is sourced from PubChem (CID 114777322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).