ethyl 3-hydroxy-2-methoxypropanoate

C6H12O4 — CID 152667160

IUPACethyl 3-hydroxy-2-methoxypropanoate
SMILESCCOC(=O)C(CO)OC
InChIInChI=1S/C6H12O4/c1-3-10-6(8)5(4-7)9-2/h5,7H,3-4H2,1-2H3
InChIKeyZKTFEQRMHCIHJS-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.44
Rot. Bonds4

About ethyl 3-hydroxy-2-methoxypropanoate

ethyl 3-hydroxy-2-methoxypropanoate (PubChem CID 152667160) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-methoxypropanoate
PubChem CID152667160
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Nameethyl 3-hydroxy-2-methoxypropanoate
SMILESCCOC(=O)C(CO)OC
InChIInChI=1S/C6H12O4/c1-3-10-6(8)5(4-7)9-2/h5,7H,3-4H2,1-2H3
InChIKeyZKTFEQRMHCIHJS-UHFFFAOYSA-N
XLogP-0.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methoxybutanoate
CID 59767959
ethyl 2-acetyloxy-3-hydroxypropanoate
CID 88644525
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
ethyl (E,2R)-2,5-dimethoxypent-4-enoate
CID 124646741
[(Z)-octadec-9-enyl] 3-hydroxy-2-methoxypropanoate
CID 87759084
(2R)-3-hydroxy-2-methoxypropanoic acid
CID 20849197
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792
ethyl 3-(hydroxymethyl)-4-methoxy-2-methylhexanoate
CID 167600424
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethanol;ethyl methyl carbonate
CID 161101393
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-methoxypropanoate?
The IUPAC name of ethyl 3-hydroxy-2-methoxypropanoate (CID 152667160) is ethyl 3-hydroxy-2-methoxypropanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-methoxypropanoate?
The canonical SMILES for ethyl 3-hydroxy-2-methoxypropanoate is CCOC(=O)C(CO)OC.
What is the InChIKey of ethyl 3-hydroxy-2-methoxypropanoate?
The InChIKey is ZKTFEQRMHCIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-3-10-6(8)5(4-7)9-2/h5,7H,3-4H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-2-methoxypropanoate?
ethyl 3-hydroxy-2-methoxypropanoate has a molecular weight of 148.16 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-methoxypropanoate is sourced from PubChem (CID 152667160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).