(3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid

C11H14N2O5 — CID 11402554

IUPAC(3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid
SMILESCOC(=O)C[C@H](CC(=O)O)c1cnc(OC)nc1
InChIInChI=1S/C11H14N2O5/c1-17-10(16)4-7(3-9(14)15)8-5-12-11(18-2)13-6-8/h5-7H,3-4H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyRRMJEIPGXZWVIM-ZETCQYMHSA-N
MW254.24 g/mol
LogP0.61
Rot. Bonds6

About (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid

(3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid (PubChem CID 11402554) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid
PubChem CID11402554
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid
SMILESCOC(=O)C[C@H](CC(=O)O)c1cnc(OC)nc1
InChIInChI=1S/C11H14N2O5/c1-17-10(16)4-7(3-9(14)15)8-5-12-11(18-2)13-6-8/h5-7H,3-4H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyRRMJEIPGXZWVIM-ZETCQYMHSA-N
XLogP0.61
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid?
The IUPAC name of (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid (CID 11402554) is (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid.
What is the SMILES notation for (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid?
The canonical SMILES for (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid is COC(=O)C[C@H](CC(=O)O)c1cnc(OC)nc1.
What is the InChIKey of (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid?
The InChIKey is RRMJEIPGXZWVIM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-10(16)4-7(3-9(14)15)8-5-12-11(18-2)13-6-8/h5-7H,3-4H2,1-2H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid?
(3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid has a molecular weight of 254.24 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-3-(2-methoxypyrimidin-5-yl)-5-oxopentanoic acid is sourced from PubChem (CID 11402554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).