3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid

C9H12N2O5 — CID 170823966

IUPAC3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid
SMILESCCOc1ncc(C(O)C(O)C(=O)O)cn1
InChIInChI=1S/C9H12N2O5/c1-2-16-9-10-3-5(4-11-9)6(12)7(13)8(14)15/h3-4,6-7,12-13H,2H2,1H3,(H,14,15)
InChIKeyGGZFVIQFUROWII-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.65
Rot. Bonds5

About 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid

3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid (PubChem CID 170823966) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid
PubChem CID170823966
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid
SMILESCCOc1ncc(C(O)C(O)C(=O)O)cn1
InChIInChI=1S/C9H12N2O5/c1-2-16-9-10-3-5(4-11-9)6(12)7(13)8(14)15/h3-4,6-7,12-13H,2H2,1H3,(H,14,15)
InChIKeyGGZFVIQFUROWII-UHFFFAOYSA-N
XLogP-0.65
TPSA112.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
3-(2-ethoxypyrimidin-5-yl)prop-2-enoic acid
CID 169460467
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171946809
2,3-dihydroxy-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 170825217
2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid
CID 170823892
N-(2-ethoxypyrimidin-5-yl)-2,2-dimethylpropanamide
CID 122301757

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid (CID 170823966) is 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid is CCOc1ncc(C(O)C(O)C(=O)O)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
The InChIKey is GGZFVIQFUROWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-2-16-9-10-3-5(4-11-9)6(12)7(13)8(14)15/h3-4,6-7,12-13H,2H2,1H3,(H,14,15).
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid has a molecular weight of 228.20 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).