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

C13H19N3O3 — CID 137015939

IUPAC2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCc1nc(N2CCCC2(CC)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-3-9-14-10(8-11(17)15-9)16-7-5-6-13(16,4-2)12(18)19/h8H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyMDQVJSYCRSGMQY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.17
Rot. Bonds4

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

2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 137015939) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID137015939
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCc1nc(N2CCCC2(CC)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-3-9-14-10(8-11(17)15-9)16-7-5-6-13(16,4-2)12(18)19/h8H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyMDQVJSYCRSGMQY-UHFFFAOYSA-N
XLogP1.17
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136959737
2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 83070640
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83075986
2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 83070789
2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958753
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 136959263
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrazole-4-carboxylic acid
CID 136989647
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136989887
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83071091
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978431

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 137015939) is 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is CCc1nc(N2CCCC2(CC)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MDQVJSYCRSGMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-9-14-10(8-11(17)15-9)16-7-5-6-13(16,4-2)12(18)19/h8H,3-7H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 137015939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).