1-(Quinazolin-4-yl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 1-(Quinazolin-4-yl)pyrrolidine-2-carboxylic acid
• CAS No.: 1008675-45-3
• Molecular Formula: C13H13N3O2
• Molecular Weight: 243.26
• DSSTox Substance ID: DTXSID001318804
• ChEMBL ID: CHEMBL1330969
• Mol file: 1008675-45-3.mol

Synonyms:1-(quinazolin-4-yl)pyrrolidine-2-carboxylic acid;1008675-45-3;1-quinazolin-4-ylpyrrolidine-2-carboxylic acid;1-(4-quinazolinyl)proline;1-Quinazolin-4-yl-pyrrolidine-2-carboxylic acid;MLS000062792;CBKinase1_003400;CBKinase1_015800;TimTec1_007896;Oprea1_574865;CHEMBL1330969;DTXSID001318804;HMS1556G20;HMS2491M20;MFCD04064789;AKOS000272954;AKOS016040500;IDI1_033550;SMR000073642;CS-0242836;EN300-25591;1-(quinazolin-4-yl)pyrrolidine-2-carboxylicacid;AP-906/41640993;BRD-A83307602-001-10-7;F3098-3254;Z212046228;1-quinazolin-4-yl-pyrrolidine-2-carboxylic acid, AldrichCPR

Chemical Property of 1-(Quinazolin-4-yl)pyrrolidine-2-carboxylic acid

Chemical Property:

• PKA: 3.18±0.20(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 243.100776666
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

1-(Quinazolin-4-yl)pyrrolidine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: C1CC(N(C1)C2=NC=NC3=CC=CC=C32)C(=O)O