(2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C15H15N3O4 — CID 119366208

IUPAC(2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccn2c(=O)c(C(=O)N3CCC[C@H]3C(=O)O)cnc2c1
InChIInChI=1S/C15H15N3O4/c1-9-4-6-18-12(7-9)16-8-10(14(18)20)13(19)17-5-2-3-11(17)15(21)22/h4,6-8,11H,2-3,5H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyLFWMKWBQJOPCJJ-NSHDSACASA-N
MW301.30 g/mol
LogP0.69
Rot. Bonds2

About (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119366208) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119366208
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccn2c(=O)c(C(=O)N3CCC[C@H]3C(=O)O)cnc2c1
InChIInChI=1S/C15H15N3O4/c1-9-4-6-18-12(7-9)16-8-10(14(18)20)13(19)17-5-2-3-11(17)15(21)22/h4,6-8,11H,2-3,5H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyLFWMKWBQJOPCJJ-NSHDSACASA-N
XLogP0.69
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 119366208) is (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1ccn2c(=O)c(C(=O)N3CCC[C@H]3C(=O)O)cnc2c1.
What is the InChIKey of (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LFWMKWBQJOPCJJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-4-6-18-12(7-9)16-8-10(14(18)20)13(19)17-5-2-3-11(17)15(21)22/h4,6-8,11H,2-3,5H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119366208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).