1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid

C15H17N3O3 — CID 43441956

IUPAC1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc2nc(CN3CCCC3C(=O)O)cc(=O)n2c1
InChIInChI=1S/C15H17N3O3/c1-10-4-5-13-16-11(7-14(19)18(13)8-10)9-17-6-2-3-12(17)15(20)21/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,20,21)
InChIKeyCJEJJYNVMBEEEM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.05
Rot. Bonds3

About 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441956) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43441956
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc2nc(CN3CCCC3C(=O)O)cc(=O)n2c1
InChIInChI=1S/C15H17N3O3/c1-10-4-5-13-16-11(7-14(19)18(13)8-10)9-17-6-2-3-12(17)15(20)21/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,20,21)
InChIKeyCJEJJYNVMBEEEM-UHFFFAOYSA-N
XLogP1.05
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43441956) is 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is Cc1ccc2nc(CN3CCCC3C(=O)O)cc(=O)n2c1.
What is the InChIKey of 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CJEJJYNVMBEEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-5-13-16-11(7-14(19)18(13)8-10)9-17-6-2-3-12(17)15(20)21/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,20,21).
What are the key properties of 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).