ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate

C11H15NO5 — CID 171865897

IUPACethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1cnccc1OC
InChIInChI=1S/C11H15NO5/c1-3-17-11(15)10(14)9(13)7-6-12-5-4-8(7)16-2/h4-6,9-10,13-14H,3H2,1-2H3
InChIKeyRYALYPTUNQSXHP-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.05
Rot. Bonds5

About ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate

ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate (PubChem CID 171865897) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
PubChem CID171865897
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nameethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1cnccc1OC
InChIInChI=1S/C11H15NO5/c1-3-17-11(15)10(14)9(13)7-6-12-5-4-8(7)16-2/h4-6,9-10,13-14H,3H2,1-2H3
InChIKeyRYALYPTUNQSXHP-UHFFFAOYSA-N
XLogP0.05
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 130565658
(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
CID 178103113
1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
CID 178103278
3-chloro-1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 171861827
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971
methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-methoxybenzoate
CID 171866986
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
ethyl 2,3-dihydroxy-3-(6-oxo-1H-pyrimidin-5-yl)propanoate
CID 171865577
ethyl 2,3-dihydroxy-3-(2-sulfanylphenyl)propanoate
CID 171865532
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate (CID 171865897) is ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate is CCOC(=O)C(O)C(O)c1cnccc1OC.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate?
The InChIKey is RYALYPTUNQSXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-17-11(15)10(14)9(13)7-6-12-5-4-8(7)16-2/h4-6,9-10,13-14H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate?
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate has a molecular weight of 241.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 171865897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).