Cas no 127310-57-0 (2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-)
127310-57-0 structure
Product Name:2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-
CAS No:127310-57-0
MF:C5H7NO4
MW:145.113381624222
CID:168886
PubChem ID:124432
Update Time:2025-04-19
2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-
- azetidine-2,4-dicarboxylic acid
- (2R,4R)-azetidine-2,4-dicarboxylic acid
- 2,4-Azetidinedicarboxylic acid, trans-(+-)-
- AD-2,4-DC
- trans-(+-)-2,4-Azetidinedicarboxylic acid
- AKOS006237610
- Lopac-A-243
- (-)-trans-azetidine-2,4-dicarboxylic acid
- J-009847
- tADA
- (2R,4R)-(+)-AZETIDINE-2,4-DICARBOXYLIC ACID
- CHEMBL43131
- JMVIGOFRIJJUAW-PWNYCUMCSA-N
- 121050-03-1
- t-ada
- Lopac-A-244
- 161596-63-0
- 127310-57-0
- SCHEMBL179769
- NCGC00015022-02
- trans-2,4-azetidinedicarboxylic acid
- trans-Azetidine-2,4-dicarboxylic acid, solid
- NCGC00015022-01
- BDBM50079270
- TRANS-AZETIDINE-2,4-DICARBOXYLICACID
- DTXSID60925846
-
- Inchi: 1S/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3-/m1/s1
- InChI Key: JMVIGOFRIJJUAW-PWNYCUMCSA-N
- SMILES: OC([C@H]1C[C@H](C(=O)O)N1)=O
Computed Properties
- Exact Mass: 145.03751
- Monoisotopic Mass: 145.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -3.1
- Topological Polar Surface Area: 86.6?2
Experimental Properties
- PSA: 86.63
2,4-Azetidinedicarboxylicacid, (2R,4R)-rel- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
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
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
127310-57-0 (2,4-Azetidinedicarboxylicacid, (2R,4R)-rel-) Related Products
- 1723-00-8((2R)-piperidine-2-carboxylic acid)
- 4043-87-2(DL-Pipecolinic acid)
- 99571-58-1(6-Methylpiperidine-2-carboxylic acid)
- 609-36-9(pyrrolidine-2-carboxylic acid)
- 2133-34-8((2S)-azetidine-2-carboxylic acid)
- 7729-30-8((R)-Azetidine-2-carboxylic acid)
- 3105-95-1((2S)-piperidine-2-carboxylic acid)
- 535-75-1(Pipecolic acid)
- 147-85-3(L-Proline)
- 344-25-2(D-Proline)
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