2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid

C12H15N3O4 — CID 79364446

IUPAC2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c1-8-9(11(17)18)3-6-15(8)10(16)7-14-5-2-4-13-12(14)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,18)
InChIKeyTWCITLVWZZFNQJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.44
Rot. Bonds3

About 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 79364446) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID79364446
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c1-8-9(11(17)18)3-6-15(8)10(16)7-14-5-2-4-13-12(14)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,18)
InChIKeyTWCITLVWZZFNQJ-UHFFFAOYSA-N
XLogP-0.44
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 79364446) is 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is TWCITLVWZZFNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8-9(11(17)18)3-6-15(8)10(16)7-14-5-2-4-13-12(14)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).