ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one

C9H18O7 — CID 89266944

IUPACethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one
SMILESCCOC(=O)C(C)O.O=C(CO)[C@H](O)CO
InChIInChI=1S/C5H10O3.C4H8O4/c1-3-8-5(7)4(2)6;5-1-3(7)4(8)2-6/h4,6H,3H2,1-2H3;3,5-7H,1-2H2/t;3-/m.1/s1
InChIKeyADCVAIHRLYZBDU-ZYRQIYSTSA-N
MW238.24 g/mol
LogP-2.17
Rot. Bonds5

About ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one

ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one (PubChem CID 89266944) has the molecular formula C9H18O7 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one
PubChem CID89266944
Molecular FormulaC9H18O7
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Nameethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one
SMILESCCOC(=O)C(C)O.O=C(CO)[C@H](O)CO
InChIInChI=1S/C5H10O3.C4H8O4/c1-3-8-5(7)4(2)6;5-1-3(7)4(8)2-6/h4,6H,3H2,1-2H3;3,5-7H,1-2H2/t;3-/m.1/s1
InChIKeyADCVAIHRLYZBDU-ZYRQIYSTSA-N
XLogP-2.17
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-hydroxypropanoate;sulfane
CID 162209332
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
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CID 175450958
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
bis(butan-1-olate);bis(ethyl 2-hydroxypropanoate);zirconium(2+)
CID 173454939
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate
CID 175389554
ethyl 2-hydroxypropanoate;hexanoic acid
CID 175216225
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
ethyl 2-hydroxybutanoate
CID 521365

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one?
The IUPAC name of ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one (CID 89266944) is ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one.
What is the SMILES notation for ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one?
The canonical SMILES for ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one is CCOC(=O)C(C)O.O=C(CO)[C@H](O)CO.
What is the InChIKey of ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one?
The InChIKey is ADCVAIHRLYZBDU-ZYRQIYSTSA-N. The full InChI is InChI=1S/C5H10O3.C4H8O4/c1-3-8-5(7)4(2)6;5-1-3(7)4(8)2-6/h4,6H,3H2,1-2H3;3,5-7H,1-2H2/t;3-/m.1/s1.
What are the key properties of ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one?
ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one has a molecular weight of 238.24 g/mol, XLogP of -2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one is sourced from PubChem (CID 89266944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).