2-[hydroxy(methoxy)methoxy]acetic acid

C4H8O5 — CID 88732358

IUPAC2-[hydroxy(methoxy)methoxy]acetic acid
SMILESCOC(O)OCC(=O)O
InChIInChI=1S/C4H8O5/c1-8-4(7)9-2-3(5)6/h4,7H,2H2,1H3,(H,5,6)
InChIKeyNWSOMVYSMXZZSP-UHFFFAOYSA-N
MW136.10 g/mol
LogP-0.99
Rot. Bonds4

About 2-[hydroxy(methoxy)methoxy]acetic acid

2-[hydroxy(methoxy)methoxy]acetic acid (PubChem CID 88732358) has the molecular formula C4H8O5 and a molecular weight of 136.10 g/mol. Its IUPAC name is 2-[hydroxy(methoxy)methoxy]acetic acid.

Molecular Properties

Compound Name2-[hydroxy(methoxy)methoxy]acetic acid
PubChem CID88732358
Molecular FormulaC4H8O5
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name2-[hydroxy(methoxy)methoxy]acetic acid
SMILESCOC(O)OCC(=O)O
InChIInChI=1S/C4H8O5/c1-8-4(7)9-2-3(5)6/h4,7H,2H2,1H3,(H,5,6)
InChIKeyNWSOMVYSMXZZSP-UHFFFAOYSA-N
XLogP-0.99
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-Hydroxy-2-methoxyacetate
CID 2724791
2,2-Diethoxyacetic acid
CID 3017504
2,2-Dimethoxyacetic acid
CID 12550976
Ethyl 2-ethoxy-2-hydroxyacetate
CID 95630
2-(Methoxymethoxy)acetic acid
CID 11116042
o-Dihydroxethoxyacetate
CID 44607602
p-Dihydroxyethoxyacetate
CID 44607603
Methyl hydroxymethoxyacetate
CID 88226
Ethyl 2-hydroxy-2-methoxyacetate
CID 10975525
Methoxy(ethoxyethoxy)acetic acid
CID 11376371
Methoxymethyl 2-methoxyacetate
CID 18714495
Triethoxyacetic acid
CID 20041644

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(methoxy)methoxy]acetic acid?
The IUPAC name of 2-[hydroxy(methoxy)methoxy]acetic acid (CID 88732358) is 2-[hydroxy(methoxy)methoxy]acetic acid.
What is the SMILES notation for 2-[hydroxy(methoxy)methoxy]acetic acid?
The canonical SMILES for 2-[hydroxy(methoxy)methoxy]acetic acid is COC(O)OCC(=O)O.
What is the InChIKey of 2-[hydroxy(methoxy)methoxy]acetic acid?
The InChIKey is NWSOMVYSMXZZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5/c1-8-4(7)9-2-3(5)6/h4,7H,2H2,1H3,(H,5,6).
What are the key properties of 2-[hydroxy(methoxy)methoxy]acetic acid?
2-[hydroxy(methoxy)methoxy]acetic acid has a molecular weight of 136.10 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(methoxy)methoxy]acetic acid is sourced from PubChem (CID 88732358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).