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

C12H17N3O3 — CID 136792245

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C12H17N3O3/c1-2-4-12(11(17)18)5-3-6-15(12)9-7-10(16)14-8-13-9/h7-8H,2-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyNEMOBSREYUNKDL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.99
Rot. Bonds4

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

1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 136792245) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID136792245
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C12H17N3O3/c1-2-4-12(11(17)18)5-3-6-15(12)9-7-10(16)14-8-13-9/h7-8H,2-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyNEMOBSREYUNKDL-UHFFFAOYSA-N
XLogP0.99
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792241
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792242
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792243
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792244
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880680
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880681
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880683
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958315
1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 136958592
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 136959002
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136959003

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 136792245) is 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is NEMOBSREYUNKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-4-12(11(17)18)5-3-6-15(12)9-7-10(16)14-8-13-9/h7-8H,2-6H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136792245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).