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

C14H15N3O3 — CID 43441785

IUPAC1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H15N3O3/c18-13-8-10(15-12-5-1-2-7-17(12)13)9-16-6-3-4-11(16)14(19)20/h1-2,5,7-8,11H,3-4,6,9H2,(H,19,20)
InChIKeyFYTHYOQEXPLLMP-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.74
Rot. Bonds3

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

1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441785) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43441785
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H15N3O3/c18-13-8-10(15-12-5-1-2-7-17(12)13)9-16-6-3-4-11(16)14(19)20/h1-2,5,7-8,11H,3-4,6,9H2,(H,19,20)
InChIKeyFYTHYOQEXPLLMP-UHFFFAOYSA-N
XLogP0.74
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43441785) is 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FYTHYOQEXPLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-8-10(15-12-5-1-2-7-17(12)13)9-16-6-3-4-11(16)14(19)20/h1-2,5,7-8,11H,3-4,6,9H2,(H,19,20).
What are the key properties of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).