2-ethoxy-3-(oxetan-3-yloxy)propanoic acid

C8H14O5 — CID 102608421

IUPAC2-ethoxy-3-(oxetan-3-yloxy)propanoic acid
SMILESCCOC(COC1COC1)C(=O)O
InChIInChI=1S/C8H14O5/c1-2-12-7(8(9)10)5-13-6-3-11-4-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyOFOFLIGDBRJCDJ-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.11
Rot. Bonds6

About 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid

2-ethoxy-3-(oxetan-3-yloxy)propanoic acid (PubChem CID 102608421) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(oxetan-3-yloxy)propanoic acid
PubChem CID102608421
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-ethoxy-3-(oxetan-3-yloxy)propanoic acid
SMILESCCOC(COC1COC1)C(=O)O
InChIInChI=1S/C8H14O5/c1-2-12-7(8(9)10)5-13-6-3-11-4-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyOFOFLIGDBRJCDJ-UHFFFAOYSA-N
XLogP-0.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetoxypropionic Acid
CID 79041
2-(2-methoxyethoxy)propanoic Acid
CID 9815219
Methyl 2,3-dihydroxypropanoate
CID 140003
1,4-Dioxane-2-carboxylic acid
CID 5230755
(R)-(+)-2-Acetoxypropionic Acid
CID 5325906
2-(1-Carboxyethoxy)propanoic acid
CID 3828587
(2S)-2-(Acetyloxy)propanoic acid
CID 6326324
(S)-Methyl 2,3-dihydroxypropanoate
CID 11083880
2-(Carboxymethoxy)propanedioic acid
CID 39077
2,3-Dimethoxypropanoic acid
CID 11217278
Ethyl 2-hydroxy-3-methoxypropanoate
CID 21993131
(R)-Methyl 2,3-dihydroxypropanoate
CID 9920382

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid?
The IUPAC name of 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid (CID 102608421) is 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid is CCOC(COC1COC1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid?
The InChIKey is OFOFLIGDBRJCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-2-12-7(8(9)10)5-13-6-3-11-4-6/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid?
2-ethoxy-3-(oxetan-3-yloxy)propanoic acid has a molecular weight of 190.19 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(oxetan-3-yloxy)propanoic acid is sourced from PubChem (CID 102608421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).