2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid

C14H19N3O4 — CID 83180688

IUPAC2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
SMILESCCOC(=O)c1cnc(N2CCCC2CC(=O)O)nc1C
InChIInChI=1S/C14H19N3O4/c1-3-21-13(20)11-8-15-14(16-9(11)2)17-6-4-5-10(17)7-12(18)19/h8,10H,3-7H2,1-2H3,(H,18,19)
InChIKeyFQWSKJCFQJSLGS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.41
Rot. Bonds5

About 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid

2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 83180688) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
PubChem CID83180688
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
SMILESCCOC(=O)c1cnc(N2CCCC2CC(=O)O)nc1C
InChIInChI=1S/C14H19N3O4/c1-3-21-13(20)11-8-15-14(16-9(11)2)17-6-4-5-10(17)7-12(18)19/h8,10H,3-7H2,1-2H3,(H,18,19)
InChIKeyFQWSKJCFQJSLGS-UHFFFAOYSA-N
XLogP1.41
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid (CID 83180688) is 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid is CCOC(=O)c1cnc(N2CCCC2CC(=O)O)nc1C.
What is the InChIKey of 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is FQWSKJCFQJSLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-13(20)11-8-15-14(16-9(11)2)17-6-4-5-10(17)7-12(18)19/h8,10H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 83180688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).