methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate

C11H21NO4 — CID 115873221

IUPACmethyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(C)CO)CCO1
InChIInChI=1S/C11H21NO4/c1-9(8-13)6-12-3-4-16-10(7-12)5-11(14)15-2/h9-10,13H,3-8H2,1-2H3
InChIKeyQDBKSYQCAAAUGQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.12
Rot. Bonds5

About methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate

methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate (PubChem CID 115873221) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
PubChem CID115873221
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(C)CO)CCO1
InChIInChI=1S/C11H21NO4/c1-9(8-13)6-12-3-4-16-10(7-12)5-11(14)15-2/h9-10,13H,3-8H2,1-2H3
InChIKeyQDBKSYQCAAAUGQ-UHFFFAOYSA-N
XLogP-0.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
CID 79822362
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
methyl 2-[4-[1-(methylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79822708
methyl 2-[4-[2-oxo-2-(pentan-3-ylamino)ethyl]morpholin-2-yl]acetate
CID 79822955
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate (CID 115873221) is methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CC(C)CO)CCO1.
What is the InChIKey of methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate?
The InChIKey is QDBKSYQCAAAUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(8-13)6-12-3-4-16-10(7-12)5-11(14)15-2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate has a molecular weight of 231.29 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115873221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).