2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid

C8H14O9 — CID 118435325

IUPAC2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
SMILESO=C(O)C(OCCO)OC(OCCO)C(=O)O
InChIInChI=1S/C8H14O9/c9-1-3-15-7(5(11)12)17-8(6(13)14)16-4-2-10/h7-10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyRWSRMVWNBSUXBQ-UHFFFAOYSA-N
MW254.19 g/mol
LogP-2.16
Rot. Bonds10

About 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid

2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid (PubChem CID 118435325) has the molecular formula C8H14O9 and a molecular weight of 254.19 g/mol. Its IUPAC name is 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid.

Molecular Properties

Compound Name2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
PubChem CID118435325
Molecular FormulaC8H14O9
Molecular Weight254.19 g/mol
Exact Mass254.06
IUPAC Name2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
SMILESO=C(O)C(OCCO)OC(OCCO)C(=O)O
InChIInChI=1S/C8H14O9/c9-1-3-15-7(5(11)12)17-8(6(13)14)16-4-2-10/h7-10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyRWSRMVWNBSUXBQ-UHFFFAOYSA-N
XLogP-2.16
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid
CID 21325453
2-dodecan-3-yloxy-2-(3-hydroxypropoxy)acetic acid
CID 57131175
3-(2-hydroxyethoxy)pentanedioic acid
CID 87839314
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol
CID 87519110
2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
2-(2-hydroxyethoxy)-4-methylsulfanylbutanoic acid
CID 83224720
1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 88836722
2-(2-hydroxyethoxy)propanoate
CID 19884519
2-bromo-2-(2-hydroxyethoxy)acetamide
CID 175386599

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid?
The IUPAC name of 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid (CID 118435325) is 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid.
What is the SMILES notation for 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid?
The canonical SMILES for 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid is O=C(O)C(OCCO)OC(OCCO)C(=O)O.
What is the InChIKey of 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid?
The InChIKey is RWSRMVWNBSUXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O9/c9-1-3-15-7(5(11)12)17-8(6(13)14)16-4-2-10/h7-10H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid?
2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid has a molecular weight of 254.19 g/mol, XLogP of -2.16, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid is sourced from PubChem (CID 118435325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).