Cas no 50673-48-8 (Isoleucine; (2R,3S)-form, N-Me)
50673-48-8 structure
Product Name:Isoleucine; (2R,3S)-form, N-Me
CAS No:50673-48-8
MF:C7H15NO2
MW:145.199502229691
CID:2360986
PubChem ID:14252411
Update Time:2025-04-21
Isoleucine; (2R,3S)-form, N-Me Chemical and Physical Properties
Names and Identifiers
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- CHEMBL3138648
- D-Alloisoleucine, N-methyl-
- 50673-48-8
- Methyl-D-alloisoleucine
- SCHEMBL2034259
- (2R,3S)-3-methyl-2-(methylamino)pentanoic acid
- Isoleucine; (2R,3S)-form, N-Me
-
- Inchi： 1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
- InChI Key： KSPIYJQBLVDRRI-UHFFFAOYSA-N
- SMILES： CCC(C(C(=O)O)NC)C
Computed Properties
- Exact Mass: 145.110278721Da
- Monoisotopic Mass: 145.110278721Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 114
- 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: -1.8
- Topological Polar Surface Area: 49.3?2
Isoleucine; (2R,3S)-form, N-Me Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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