ethyl 2-methoxypropanoate;2-methoxypropanoic acid

C10H20O6 — CID 161483069

IUPACethyl 2-methoxypropanoate;2-methoxypropanoic acid
SMILESCCOC(=O)C(C)OC.COC(C)C(=O)O
InChIInChI=1S/C6H12O3.C4H8O3/c1-4-9-6(7)5(2)8-3;1-3(7-2)4(5)6/h5H,4H2,1-3H3;3H,1-2H3,(H,5,6)
InChIKeyWEPSIUXKNLWSDK-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.69
Rot. Bonds5

About ethyl 2-methoxypropanoate;2-methoxypropanoic acid

ethyl 2-methoxypropanoate;2-methoxypropanoic acid (PubChem CID 161483069) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is ethyl 2-methoxypropanoate;2-methoxypropanoic acid.

Molecular Properties

Compound Nameethyl 2-methoxypropanoate;2-methoxypropanoic acid
PubChem CID161483069
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nameethyl 2-methoxypropanoate;2-methoxypropanoic acid
SMILESCCOC(=O)C(C)OC.COC(C)C(=O)O
InChIInChI=1S/C6H12O3.C4H8O3/c1-4-9-6(7)5(2)8-3;1-3(7-2)4(5)6/h5H,4H2,1-3H3;3H,1-2H3,(H,5,6)
InChIKeyWEPSIUXKNLWSDK-UHFFFAOYSA-N
XLogP0.69
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxypropanoate;2-methoxypropanoic acid?
The IUPAC name of ethyl 2-methoxypropanoate;2-methoxypropanoic acid (CID 161483069) is ethyl 2-methoxypropanoate;2-methoxypropanoic acid.
What is the SMILES notation for ethyl 2-methoxypropanoate;2-methoxypropanoic acid?
The canonical SMILES for ethyl 2-methoxypropanoate;2-methoxypropanoic acid is CCOC(=O)C(C)OC.COC(C)C(=O)O.
What is the InChIKey of ethyl 2-methoxypropanoate;2-methoxypropanoic acid?
The InChIKey is WEPSIUXKNLWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H8O3/c1-4-9-6(7)5(2)8-3;1-3(7-2)4(5)6/h5H,4H2,1-3H3;3H,1-2H3,(H,5,6).
What are the key properties of ethyl 2-methoxypropanoate;2-methoxypropanoic acid?
ethyl 2-methoxypropanoate;2-methoxypropanoic acid has a molecular weight of 236.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxypropanoate;2-methoxypropanoic acid is sourced from PubChem (CID 161483069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).