2-hydroxyacetate;morpholin-4-ium

C6H13NO4 — CID 71439609

IUPAC2-hydroxyacetate;morpholin-4-ium
SMILESC1COCC[NH2+]1.O=C([O-])CO
InChIInChI=1S/C4H9NO.C2H4O3/c1-3-6-4-2-5-1;3-1-2(4)5/h5H,1-4H2;3H,1H2,(H,4,5)
InChIKeyRIUDGYLEEGUDAZ-UHFFFAOYSA-N
MW163.17 g/mol
LogP-3.69
Rot. Bonds1

About 2-hydroxyacetate;morpholin-4-ium

2-hydroxyacetate;morpholin-4-ium (PubChem CID 71439609) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-hydroxyacetate;morpholin-4-ium.

Molecular Properties

Compound Name2-hydroxyacetate;morpholin-4-ium
PubChem CID71439609
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-hydroxyacetate;morpholin-4-ium
SMILESC1COCC[NH2+]1.O=C([O-])CO
InChIInChI=1S/C4H9NO.C2H4O3/c1-3-6-4-2-5-1;3-1-2(4)5/h5H,1-4H2;3H,1H2,(H,4,5)
InChIKeyRIUDGYLEEGUDAZ-UHFFFAOYSA-N
XLogP-3.69
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-3.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;morpholin-4-ium?
The IUPAC name of 2-hydroxyacetate;morpholin-4-ium (CID 71439609) is 2-hydroxyacetate;morpholin-4-ium.
What is the SMILES notation for 2-hydroxyacetate;morpholin-4-ium?
The canonical SMILES for 2-hydroxyacetate;morpholin-4-ium is C1COCC[NH2+]1.O=C([O-])CO.
What is the InChIKey of 2-hydroxyacetate;morpholin-4-ium?
The InChIKey is RIUDGYLEEGUDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H4O3/c1-3-6-4-2-5-1;3-1-2(4)5/h5H,1-4H2;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetate;morpholin-4-ium?
2-hydroxyacetate;morpholin-4-ium has a molecular weight of 163.17 g/mol, XLogP of -3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetate;morpholin-4-ium is sourced from PubChem (CID 71439609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).