methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate

C11H21NO4 — CID 81204311

IUPACmethyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CC(CO)OCC1C
InChIInChI=1S/C11H21NO4/c1-8(11(14)15-3)4-12-5-10(6-13)16-7-9(12)2/h8-10,13H,4-7H2,1-3H3
InChIKeyQXZDUWOPDCHVHV-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.12
Rot. Bonds4

About methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate

methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate (PubChem CID 81204311) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
PubChem CID81204311
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CC(CO)OCC1C
InChIInChI=1S/C11H21NO4/c1-8(11(14)15-3)4-12-5-10(6-13)16-7-9(12)2/h8-10,13H,4-7H2,1-3H3
InChIKeyQXZDUWOPDCHVHV-UHFFFAOYSA-N
XLogP-0.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 81219632
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
CID 81203652
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate (CID 81204311) is methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate is COC(=O)C(C)CN1CC(CO)OCC1C.
What is the InChIKey of methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate?
The InChIKey is QXZDUWOPDCHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(11(14)15-3)4-12-5-10(6-13)16-7-9(12)2/h8-10,13H,4-7H2,1-3H3.
What are the key properties of methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate?
methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate has a molecular weight of 231.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate is sourced from PubChem (CID 81204311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).