3-(3-hydroxypropoxymethoxy)propanoic acid

C7H14O5 — CID 58271912

IUPAC3-(3-hydroxypropoxymethoxy)propanoic acid
SMILESO=C(O)CCOCOCCCO
InChIInChI=1S/C7H14O5/c8-3-1-4-11-6-12-5-2-7(9)10/h8H,1-6H2,(H,9,10)
InChIKeyVXNKOFMHACIBRT-UHFFFAOYSA-N
MW178.18 g/mol
LogP-0.17
Rot. Bonds8

About 3-(3-hydroxypropoxymethoxy)propanoic acid

3-(3-hydroxypropoxymethoxy)propanoic acid (PubChem CID 58271912) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 3-(3-hydroxypropoxymethoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxypropoxymethoxy)propanoic acid
PubChem CID58271912
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name3-(3-hydroxypropoxymethoxy)propanoic acid
SMILESO=C(O)CCOCOCCCO
InChIInChI=1S/C7H14O5/c8-3-1-4-11-6-12-5-2-7(9)10/h8H,1-6H2,(H,9,10)
InChIKeyVXNKOFMHACIBRT-UHFFFAOYSA-N
XLogP-0.17
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
CID 172913435
CID 172913435
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-(3-chloropropoxy)propanoic acid
CID 139466020
3-ethoxypropan-1-ol;octadecanoic acid
CID 174469780
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
3-(2-sulfanylethoxy)propanoic acid
CID 19987106
21-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-18-oxohenicosanoic acid
CID 58249220
2,5-bis[2-(3-hydroxypropoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid
CID 101322138
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid
CID 175579111
4-hydroxybutanoic acid;yttrium
CID 58261226

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropoxymethoxy)propanoic acid?
The IUPAC name of 3-(3-hydroxypropoxymethoxy)propanoic acid (CID 58271912) is 3-(3-hydroxypropoxymethoxy)propanoic acid.
What is the SMILES notation for 3-(3-hydroxypropoxymethoxy)propanoic acid?
The canonical SMILES for 3-(3-hydroxypropoxymethoxy)propanoic acid is O=C(O)CCOCOCCCO.
What is the InChIKey of 3-(3-hydroxypropoxymethoxy)propanoic acid?
The InChIKey is VXNKOFMHACIBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c8-3-1-4-11-6-12-5-2-7(9)10/h8H,1-6H2,(H,9,10).
What are the key properties of 3-(3-hydroxypropoxymethoxy)propanoic acid?
3-(3-hydroxypropoxymethoxy)propanoic acid has a molecular weight of 178.18 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropoxymethoxy)propanoic acid is sourced from PubChem (CID 58271912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).