2,3-diethoxypropanoic acid

C7H14O4 — CID 63075333

IUPAC2,3-diethoxypropanoic acid
SMILESCCOCC(OCC)C(=O)O
InChIInChI=1S/C7H14O4/c1-3-10-5-6(7(8)9)11-4-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyANVNEINAONNWFY-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.51
Rot. Bonds6

About 2,3-diethoxypropanoic acid

2,3-diethoxypropanoic acid (PubChem CID 63075333) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,3-diethoxypropanoic acid.

Molecular Properties

Compound Name2,3-diethoxypropanoic acid
PubChem CID63075333
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name2,3-diethoxypropanoic acid
SMILESCCOCC(OCC)C(=O)O
InChIInChI=1S/C7H14O4/c1-3-10-5-6(7(8)9)11-4-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyANVNEINAONNWFY-UHFFFAOYSA-N
XLogP0.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetoxypropionic Acid
CID 79041
2-Ethoxypropanoic acid
CID 15268841
2-Methoxypropanoic acid
CID 92209
Methyl 2,3-dihydroxypropanoate
CID 140003
Glycerol monolactate
CID 95467
1,4-Dioxane-2-carboxylic acid
CID 5230755
(R)-(+)-2-Acetoxypropionic Acid
CID 5325906
2-(1-Carboxyethoxy)propanoic acid
CID 3828587
2-(2-methoxyethoxy)propanoic Acid
CID 9815219
2-(2-Hydroxy-1-oxopropoxy)propionic acid
CID 69241
(2S)-2-(Acetyloxy)propanoic acid
CID 6326324
2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxypropanoic acid?
The IUPAC name of 2,3-diethoxypropanoic acid (CID 63075333) is 2,3-diethoxypropanoic acid.
What is the SMILES notation for 2,3-diethoxypropanoic acid?
The canonical SMILES for 2,3-diethoxypropanoic acid is CCOCC(OCC)C(=O)O.
What is the InChIKey of 2,3-diethoxypropanoic acid?
The InChIKey is ANVNEINAONNWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-3-10-5-6(7(8)9)11-4-2/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2,3-diethoxypropanoic acid?
2,3-diethoxypropanoic acid has a molecular weight of 162.19 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxypropanoic acid is sourced from PubChem (CID 63075333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).