(2-methoxy-2-oxoethyl) 2-hydroxypropanoate

C6H10O5 — CID 19788816

IUPAC(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
SMILESCOC(=O)COC(=O)C(C)O
InChIInChI=1S/C6H10O5/c1-4(7)6(9)11-3-5(8)10-2/h4,7H,3H2,1-2H3
InChIKeyTXENDJQSPLUMPT-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.92
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 2-hydroxypropanoate

(2-methoxy-2-oxoethyl) 2-hydroxypropanoate (PubChem CID 19788816) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
PubChem CID19788816
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
SMILESCOC(=O)COC(=O)C(C)O
InChIInChI=1S/C6H10O5/c1-4(7)6(9)11-3-5(8)10-2/h4,7H,3H2,1-2H3
InChIKeyTXENDJQSPLUMPT-UHFFFAOYSA-N
XLogP-0.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
2-[2-(2-hydroxypropanoyloxy)acetyl]oxyacetic acid
CID 59117352
(2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate
CID 88771507
(2-methoxy-2-oxoethyl) 6-hydroxy-2-methylhexanoate
CID 123290772
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
4-[2-(2-hydroxypropanoyloxy)acetyl]oxybutanoic acid
CID 175389566
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
methyl 2-prop-1-en-2-yloxyacetate
CID 90436519
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate (CID 19788816) is (2-methoxy-2-oxoethyl) 2-hydroxypropanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-hydroxypropanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-hydroxypropanoate is COC(=O)COC(=O)C(C)O.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate?
The InChIKey is TXENDJQSPLUMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-4(7)6(9)11-3-5(8)10-2/h4,7H,3H2,1-2H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate?
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate has a molecular weight of 162.14 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-hydroxypropanoate is sourced from PubChem (CID 19788816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).