ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate

C10H14N2O5 — CID 171865797

IUPACethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1cnc(OC)nc1
InChIInChI=1S/C10H14N2O5/c1-3-17-9(15)8(14)7(13)6-4-11-10(16-2)12-5-6/h4-5,7-8,13-14H,3H2,1-2H3
InChIKeyUZODIAYGISAXCN-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.56
Rot. Bonds5

About ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate

ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate (PubChem CID 171865797) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
PubChem CID171865797
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Nameethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1cnc(OC)nc1
InChIInChI=1S/C10H14N2O5/c1-3-17-9(15)8(14)7(13)6-4-11-10(16-2)12-5-6/h4-5,7-8,13-14H,3H2,1-2H3
InChIKeyUZODIAYGISAXCN-UHFFFAOYSA-N
XLogP-0.56
TPSA101.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171866731
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893
3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823966
2-hydroxy-2-(2-methoxypyrimidin-5-yl)acetamide
CID 121269918
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
ethyl 2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propanoate
CID 171866849
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256
ethyl 3-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171866757

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate (CID 171865797) is ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate is CCOC(=O)C(O)C(O)c1cnc(OC)nc1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate?
The InChIKey is UZODIAYGISAXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-3-17-9(15)8(14)7(13)6-4-11-10(16-2)12-5-6/h4-5,7-8,13-14H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate?
ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate has a molecular weight of 242.23 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate is sourced from PubChem (CID 171865797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).