2-hydroxy-2-(2-hydroxyethoxy)acetate

C4H7O5- — CID 44607602

IUPAC2-hydroxy-2-(2-hydroxyethoxy)acetate
SMILESO=C([O-])C(O)OCCO
InChIInChI=1S/C4H8O5/c5-1-2-9-4(8)3(6)7/h4-5,8H,1-2H2,(H,6,7)/p-1
InChIKeyLGSBQUSNSQFXGC-UHFFFAOYSA-M
MW135.09 g/mol
LogP-2.94
Rot. Bonds4

About 2-hydroxy-2-(2-hydroxyethoxy)acetate

2-hydroxy-2-(2-hydroxyethoxy)acetate (PubChem CID 44607602) has the molecular formula C4H7O5- and a molecular weight of 135.09 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxyethoxy)acetate.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxyethoxy)acetate
PubChem CID44607602
Molecular FormulaC4H7O5-
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name2-hydroxy-2-(2-hydroxyethoxy)acetate
SMILESO=C([O-])C(O)OCCO
InChIInChI=1S/C4H8O5/c5-1-2-9-4(8)3(6)7/h4-5,8H,1-2H2,(H,6,7)/p-1
InChIKeyLGSBQUSNSQFXGC-UHFFFAOYSA-M
XLogP-2.94
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 5-2.94
H-Bond Donors ≤ 52
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-2-(2-hydroxyethoxy)acetate?
The IUPAC name of 2-hydroxy-2-(2-hydroxyethoxy)acetate (CID 44607602) is 2-hydroxy-2-(2-hydroxyethoxy)acetate.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxyethoxy)acetate?
The canonical SMILES for 2-hydroxy-2-(2-hydroxyethoxy)acetate is O=C([O-])C(O)OCCO.
What is the InChIKey of 2-hydroxy-2-(2-hydroxyethoxy)acetate?
The InChIKey is LGSBQUSNSQFXGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O5/c5-1-2-9-4(8)3(6)7/h4-5,8H,1-2H2,(H,6,7)/p-1.
What are the key properties of 2-hydroxy-2-(2-hydroxyethoxy)acetate?
2-hydroxy-2-(2-hydroxyethoxy)acetate has a molecular weight of 135.09 g/mol, XLogP of -2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxyethoxy)acetate is sourced from PubChem (CID 44607602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).