3-(2-methoxypyrimidin-5-yl)pentanedioic acid

C10H12N2O5 — CID 11276493

IUPAC3-(2-methoxypyrimidin-5-yl)pentanedioic acid
SMILESCOc1ncc(C(CC(=O)O)CC(=O)O)cn1
InChIInChI=1S/C10H12N2O5/c1-17-10-11-4-7(5-12-10)6(2-8(13)14)3-9(15)16/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyIDKSRZIGMRTFMJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.52
Rot. Bonds6

About 3-(2-methoxypyrimidin-5-yl)pentanedioic acid

3-(2-methoxypyrimidin-5-yl)pentanedioic acid (PubChem CID 11276493) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)pentanedioic acid.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)pentanedioic acid
PubChem CID11276493
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-(2-methoxypyrimidin-5-yl)pentanedioic acid
SMILESCOc1ncc(C(CC(=O)O)CC(=O)O)cn1
InChIInChI=1S/C10H12N2O5/c1-17-10-11-4-7(5-12-10)6(2-8(13)14)3-9(15)16/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyIDKSRZIGMRTFMJ-UHFFFAOYSA-N
XLogP0.52
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)pentanedioic acid?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)pentanedioic acid (CID 11276493) is 3-(2-methoxypyrimidin-5-yl)pentanedioic acid.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)pentanedioic acid?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)pentanedioic acid is COc1ncc(C(CC(=O)O)CC(=O)O)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)pentanedioic acid?
The InChIKey is IDKSRZIGMRTFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-17-10-11-4-7(5-12-10)6(2-8(13)14)3-9(15)16/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(2-methoxypyrimidin-5-yl)pentanedioic acid?
3-(2-methoxypyrimidin-5-yl)pentanedioic acid has a molecular weight of 240.21 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)pentanedioic acid is sourced from PubChem (CID 11276493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).