3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C15H23N3O3 — CID 115973046

IUPAC3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cc(OC(C)C)n2)C1
InChIInChI=1S/C15H23N3O3/c1-5-15(13(19)20)6-7-18(9-15)14-16-11(4)8-12(17-14)21-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyYXPNOPGCJOTDRT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.26
Rot. Bonds5

About 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 115973046) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID115973046
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cc(OC(C)C)n2)C1
InChIInChI=1S/C15H23N3O3/c1-5-15(13(19)20)6-7-18(9-15)14-16-11(4)8-12(17-14)21-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyYXPNOPGCJOTDRT-UHFFFAOYSA-N
XLogP2.26
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 115973046) is 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2nc(C)cc(OC(C)C)n2)C1.
What is the InChIKey of 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is YXPNOPGCJOTDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-15(13(19)20)6-7-18(9-15)14-16-11(4)8-12(17-14)21-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,19,20).
What are the key properties of 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115973046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).