3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C13H19N3O3 — CID 136880681

IUPAC3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nc(N2CCC(C)C2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-7(2)12-14-9(6-10(17)15-12)16-5-4-8(3)11(16)13(18)19/h6-8,11H,4-5H2,1-3H3,(H,18,19)(H,14,15,17)
InChIKeyBBCHAZXZTWAEBX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds3

About 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136880681) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136880681
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nc(N2CCC(C)C2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-7(2)12-14-9(6-10(17)15-12)16-5-4-8(3)11(16)13(18)19/h6-8,11H,4-5H2,1-3H3,(H,18,19)(H,14,15,17)
InChIKeyBBCHAZXZTWAEBX-UHFFFAOYSA-N
XLogP1.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpropylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 21979679
(6S)-3-(2-methylpropylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 90790705
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136758191
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758192
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136758193
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-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792245
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 136865961
2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 136865964
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136880681) is 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is CC(C)c1nc(N2CCC(C)C2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is BBCHAZXZTWAEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)12-14-9(6-10(17)15-12)16-5-4-8(3)11(16)13(18)19/h6-8,11H,4-5H2,1-3H3,(H,18,19)(H,14,15,17).
What are the key properties of 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136880681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).