(2-hydroxy-4-methylmorpholin-2-yl) acetate

C7H13NO4 — CID 172553442

IUPAC(2-hydroxy-4-methylmorpholin-2-yl) acetate
SMILESCC(=O)OC1(O)CN(C)CCO1
InChIInChI=1S/C7H13NO4/c1-6(9)12-7(10)5-8(2)3-4-11-7/h10H,3-5H2,1-2H3
InChIKeyIMSLZWDHUHDBAI-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.84
Rot. Bonds1

About (2-hydroxy-4-methylmorpholin-2-yl) acetate

(2-hydroxy-4-methylmorpholin-2-yl) acetate (PubChem CID 172553442) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2-hydroxy-4-methylmorpholin-2-yl) acetate.

Molecular Properties

Compound Name(2-hydroxy-4-methylmorpholin-2-yl) acetate
PubChem CID172553442
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2-hydroxy-4-methylmorpholin-2-yl) acetate
SMILESCC(=O)OC1(O)CN(C)CCO1
InChIInChI=1S/C7H13NO4/c1-6(9)12-7(10)5-8(2)3-4-11-7/h10H,3-5H2,1-2H3
InChIKeyIMSLZWDHUHDBAI-UHFFFAOYSA-N
XLogP-0.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylmorpholin-2-yl) acetate?
The IUPAC name of (2-hydroxy-4-methylmorpholin-2-yl) acetate (CID 172553442) is (2-hydroxy-4-methylmorpholin-2-yl) acetate.
What is the SMILES notation for (2-hydroxy-4-methylmorpholin-2-yl) acetate?
The canonical SMILES for (2-hydroxy-4-methylmorpholin-2-yl) acetate is CC(=O)OC1(O)CN(C)CCO1.
What is the InChIKey of (2-hydroxy-4-methylmorpholin-2-yl) acetate?
The InChIKey is IMSLZWDHUHDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-6(9)12-7(10)5-8(2)3-4-11-7/h10H,3-5H2,1-2H3.
What are the key properties of (2-hydroxy-4-methylmorpholin-2-yl) acetate?
(2-hydroxy-4-methylmorpholin-2-yl) acetate has a molecular weight of 175.18 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylmorpholin-2-yl) acetate is sourced from PubChem (CID 172553442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).