methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate

C12H23NO4 — CID 79823228

IUPACmethyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCCCO)CCO1
InChIInChI=1S/C12H23NO4/c1-16-12(15)9-11-10-13(6-8-17-11)5-3-2-4-7-14/h11,14H,2-10H2,1H3
InChIKeyJKJVROIYMMOTRY-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.41
Rot. Bonds7

About methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate

methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate (PubChem CID 79823228) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
PubChem CID79823228
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCCCO)CCO1
InChIInChI=1S/C12H23NO4/c1-16-12(15)9-11-10-13(6-8-17-11)5-3-2-4-7-14/h11,14H,2-10H2,1H3
InChIKeyJKJVROIYMMOTRY-UHFFFAOYSA-N
XLogP0.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
CID 79822869
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate (CID 79823228) is methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CCCCCO)CCO1.
What is the InChIKey of methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate?
The InChIKey is JKJVROIYMMOTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-16-12(15)9-11-10-13(6-8-17-11)5-3-2-4-7-14/h11,14H,2-10H2,1H3.
What are the key properties of methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate?
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate has a molecular weight of 245.32 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79823228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).