1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid

C14H21N3O3 — CID 136792246

IUPAC1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-6-14(13(19)20)7-5-8-17(14)11-9-12(18)16-10(4-2)15-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyBYELITMOIBCFTI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.56
Rot. Bonds5

About 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 136792246) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID136792246
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-6-14(13(19)20)7-5-8-17(14)11-9-12(18)16-10(4-2)15-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyBYELITMOIBCFTI-UHFFFAOYSA-N
XLogP1.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 136792246) is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is BYELITMOIBCFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-6-14(13(19)20)7-5-8-17(14)11-9-12(18)16-10(4-2)15-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136792246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).