2-(1,2-dihydroxyethoxy)acetate

C4H7O5- — CID 44607603

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

About 2-(1,2-dihydroxyethoxy)acetate

2-(1,2-dihydroxyethoxy)acetate (PubChem CID 44607603) has the molecular formula C4H7O5- and a molecular weight of 135.09 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethoxy)acetate.

Molecular Properties

Compound Name2-(1,2-dihydroxyethoxy)acetate
PubChem CID44607603
Molecular FormulaC4H7O5-
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name2-(1,2-dihydroxyethoxy)acetate
SMILESO=C([O-])COC(O)CO
InChIInChI=1S/C4H8O5/c5-1-4(8)9-2-3(6)7/h4-5,8H,1-2H2,(H,6,7)/p-1
InChIKeyZQBWCQHCMJERPW-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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Related Compounds

(2-Hydroxyethoxy)acetic acid
CID 25935
Methyl 2-Hydroxy-2-methoxyacetate
CID 2724791
2-(2-(2-Hydroxyethoxy)ethoxy)acetic acid
CID 22023490
1,3-Dioxolane-2-carboxylic acid
CID 355326
2,2-Diethoxyacetic acid
CID 3017504
2-[(2-Hydroxyacetyl)oxy]acetic acid
CID 11094663
Sodium 2-(2-hydroxyethoxy)acetate
CID 23665015
Ethyl 2-ethoxy-2-hydroxyacetate
CID 95630
2-Hydroxyethoxyacetate
CID 22628635
o-Dihydroxethoxyacetate
CID 44607602
Methyl hydroxymethoxyacetate
CID 88226
Ethyl 2-hydroxy-2-methoxyacetate
CID 10975525

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethoxy)acetate?
The IUPAC name of 2-(1,2-dihydroxyethoxy)acetate (CID 44607603) is 2-(1,2-dihydroxyethoxy)acetate.
What is the SMILES notation for 2-(1,2-dihydroxyethoxy)acetate?
The canonical SMILES for 2-(1,2-dihydroxyethoxy)acetate is O=C([O-])COC(O)CO.
What is the InChIKey of 2-(1,2-dihydroxyethoxy)acetate?
The InChIKey is ZQBWCQHCMJERPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O5/c5-1-4(8)9-2-3(6)7/h4-5,8H,1-2H2,(H,6,7)/p-1.
What are the key properties of 2-(1,2-dihydroxyethoxy)acetate?
2-(1,2-dihydroxyethoxy)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-(1,2-dihydroxyethoxy)acetate is sourced from PubChem (CID 44607603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).