3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid

C10H18O7 — CID 13225972

IUPAC3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCC(=O)O
InChIInChI=1S/C10H18O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKeyWFLUHYUKINZPNZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.01
Rot. Bonds12

About 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid

3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid (PubChem CID 13225972) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
PubChem CID13225972
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCC(=O)O
InChIInChI=1S/C10H18O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKeyWFLUHYUKINZPNZ-UHFFFAOYSA-N
XLogP-0.01
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[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]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-(2-iodoethoxy)ethoxy]propanoic acid
CID 137354402
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
3-(2-aminoperoxyethoxy)propanoic acid
CID 174249816
CID 172913435
CID 172913435
3-(2-sulfanylethoxy)propanoic acid
CID 19987106

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid (CID 13225972) is 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid?
The InChIKey is WFLUHYUKINZPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2,(H,11,12)(H,13,14).
What are the key properties of 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid has a molecular weight of 250.25 g/mol, XLogP of -0.01, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 13225972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).