(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C14H13N3O4 — CID 78921369

IUPAC(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H13N3O4/c18-12(16-7-3-4-10(16)14(20)21)9-8-15-11-5-1-2-6-17(11)13(9)19/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)/t10-/m1/s1
InChIKeyDIIUSAOXEIDRJG-SNVBAGLBSA-N
MW287.27 g/mol
LogP0.38
Rot. Bonds2

About (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78921369) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78921369
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H13N3O4/c18-12(16-7-3-4-10(16)14(20)21)9-8-15-11-5-1-2-6-17(11)13(9)19/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)/t10-/m1/s1
InChIKeyDIIUSAOXEIDRJG-SNVBAGLBSA-N
XLogP0.38
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 78921369) is (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DIIUSAOXEIDRJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12(16-7-3-4-10(16)14(20)21)9-8-15-11-5-1-2-6-17(11)13(9)19/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78921369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).