1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid

C14H19N3O4 — CID 102775959

IUPAC1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-7-4-5-17(12(7)13(19)20)11(18)6-10-8(2)15-14(21)16-9(10)3/h7,12H,4-6H2,1-3H3,(H,19,20)(H,15,16,21)
InChIKeyBDLRVWTYWJVYFH-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.25
Rot. Bonds3

About 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid

1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775959) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775959
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-7-4-5-17(12(7)13(19)20)11(18)6-10-8(2)15-14(21)16-9(10)3/h7,12H,4-6H2,1-3H3,(H,19,20)(H,15,16,21)
InChIKeyBDLRVWTYWJVYFH-UHFFFAOYSA-N
XLogP0.25
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 69232166
1-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 69232168
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylpentanoic acid
CID 43353367
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354098
1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355697
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpentanoic acid
CID 43356536
1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357026
methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate
CID 43422846
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467720
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43469506
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]pentanoic acid
CID 43630841
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid
CID 54901135

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102775959) is 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is BDLRVWTYWJVYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-7-4-5-17(12(7)13(19)20)11(18)6-10-8(2)15-14(21)16-9(10)3/h7,12H,4-6H2,1-3H3,(H,19,20)(H,15,16,21).
What are the key properties of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).