Cas no 869305-89-5 (2-imino-3-methylene-5-L-(carboxy-L-valyl)pyrrolidine)
869305-89-5 structure
Product Name:2-imino-3-methylene-5-L-(carboxy-L-valyl)pyrrolidine
CAS No:869305-89-5
MF:C11H17N3O3
MW:239.270982503891
CID:2852105
PubChem ID:11687339
Update Time:2024-03-01
2-imino-3-methylene-5-L-(carboxy-L-valyl)pyrrolidine Chemical and Physical Properties
Names and Identifiers
-
- 2-imino-3-methylene-5-L-(carboxy-L-valyl)pyrrolidine
- N-[(4-Methylene-5-imino-2alpha-pyrrolidinyl)carbonyl]valine
- SCHEMBL17866939
- CHEBI:221635
- 869305-89-5
- DTXSID40470622
- CHEMBL1095371
-
- Inchi： 1S/C11H17N3O3/c1-5(2)8(11(16)17)14-10(15)7-4-6(3)9(12)13-7/h5,7-8H,3-4H2,1-2H3,(H2,12,13)(H,14,15)(H,16,17)/t7-,8-/m0/s1
- InChI Key： ZUBOMWJCMSHMTA-YUMQZZPRSA-N
- SMILES： O=C([C@@H]1CC(=C)C(N)=N1)N[C@H](C(=O)O)C(C)C
Computed Properties
- Exact Mass: 239.12699141g/mol
- Monoisotopic Mass: 239.12699141g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 387
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 105
2-imino-3-methylene-5-L-(carboxy-L-valyl)pyrrolidine Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
869305-89-5 (2-imino-3-methylene-5-L-(carboxy-L-valyl)pyrrolidine) Related Products
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