4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid

C11H20O7 — CID 75202538

IUPAC4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
SMILESO=C(O)CCCOCCOCCOCCC(=O)O
InChIInChI=1S/C11H20O7/c12-10(13)2-1-4-16-6-8-18-9-7-17-5-3-11(14)15/h1-9H2,(H,12,13)(H,14,15)
InChIKeyKDNPOPNFKGSIOG-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.38
Rot. Bonds13

About 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid

4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid (PubChem CID 75202538) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
PubChem CID75202538
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
SMILESO=C(O)CCCOCCOCCOCCC(=O)O
InChIInChI=1S/C11H20O7/c12-10(13)2-1-4-16-6-8-18-9-7-17-5-3-11(14)15/h1-9H2,(H,12,13)(H,14,15)
InChIKeyKDNPOPNFKGSIOG-UHFFFAOYSA-N
XLogP0.38
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.38
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-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
8-(3-carboxypropoxy)octanoic acid
CID 154155651
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
3-(3-chloropropoxy)propanoic acid
CID 139466020
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
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
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
4-(3-methoxypropoxy)butanoic acid
CID 60918159
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-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
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-iodoethoxy)ethoxy]propanoic acid
CID 137354402

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid?
The IUPAC name of 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid (CID 75202538) is 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid.
What is the SMILES notation for 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid?
The canonical SMILES for 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid is O=C(O)CCCOCCOCCOCCC(=O)O.
What is the InChIKey of 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid?
The InChIKey is KDNPOPNFKGSIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O7/c12-10(13)2-1-4-16-6-8-18-9-7-17-5-3-11(14)15/h1-9H2,(H,12,13)(H,14,15).
What are the key properties of 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid?
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid has a molecular weight of 264.27 g/mol, XLogP of 0.38, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid is sourced from PubChem (CID 75202538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).