ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate

C11H15NO5 — CID 171865893

IUPACethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OC)cn1
InChIInChI=1S/C11H15NO5/c1-3-17-11(15)10(14)9(13)8-5-4-7(16-2)6-12-8/h4-6,9-10,13-14H,3H2,1-2H3
InChIKeyKLNVFESBBRZFAA-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.05
Rot. Bonds5

About ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate

ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate (PubChem CID 171865893) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
PubChem CID171865893
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nameethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OC)cn1
InChIInChI=1S/C11H15NO5/c1-3-17-11(15)10(14)9(13)8-5-4-7(16-2)6-12-8/h4-6,9-10,13-14H,3H2,1-2H3
InChIKeyKLNVFESBBRZFAA-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 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
ethyl 3-(5-amino-6-methoxypyrazin-2-yl)-2,3-dihydroxypropanoate
CID 171866243
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (2R,3S)-2,3-dihydroxy-3-(4-methoxy-2-nitrophenyl)propanoate
CID 122678400
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate (CID 171865893) is ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate is CCOC(=O)C(O)C(O)c1ccc(OC)cn1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate?
The InChIKey is KLNVFESBBRZFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-17-11(15)10(14)9(13)8-5-4-7(16-2)6-12-8/h4-6,9-10,13-14H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate?
ethyl 2,3-dihydroxy-3-(5-methoxy-2-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-(5-methoxy-2-pyridinyl)propanoate is sourced from PubChem (CID 171865893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).