2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid

C6H12O10S — CID 90826502

IUPAC2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid
SMILESO=C(O)COCCOCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C6H10O6.H2O4S/c7-5(8)3-11-1-2-12-4-6(9)10;1-5(2,3)4/h1-4H2,(H,7,8)(H,9,10);(H2,1,2,3,4)
InChIKeyDQGIDKDUAAIOIO-UHFFFAOYSA-N
MW276.22 g/mol
LogP-1.46
Rot. Bonds7

About 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid

2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid (PubChem CID 90826502) has the molecular formula C6H12O10S and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid
PubChem CID90826502
Molecular FormulaC6H12O10S
Molecular Weight276.22 g/mol
Exact Mass276.02
IUPAC Name2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid
SMILESO=C(O)COCCOCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C6H10O6.H2O4S/c7-5(8)3-11-1-2-12-4-6(9)10;1-5(2,3)4/h1-4H2,(H,7,8)(H,9,10);(H2,1,2,3,4)
InChIKeyDQGIDKDUAAIOIO-UHFFFAOYSA-N
XLogP-1.46
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 126843434
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-(5-methylsulfonyloxypentoxy)acetic acid
CID 175490607
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid?
The IUPAC name of 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid (CID 90826502) is 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid?
The canonical SMILES for 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid is O=C(O)COCCOCC(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid?
The InChIKey is DQGIDKDUAAIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6.H2O4S/c7-5(8)3-11-1-2-12-4-6(9)10;1-5(2,3)4/h1-4H2,(H,7,8)(H,9,10);(H2,1,2,3,4).
What are the key properties of 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid?
2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid has a molecular weight of 276.22 g/mol, XLogP of -1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid is sourced from PubChem (CID 90826502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).