Cas no 1173023-47-6 (2-(trideuteriomethyl)pyrrolidine-2-carboxylic acid)
1173023-47-6 structure
Product Name:2-(trideuteriomethyl)pyrrolidine-2-carboxylic acid
CAS No:1173023-47-6
MF:C6H11NO2
MW:133.168181657791
CID:2615315
PubChem ID:71309354
Update Time:2025-04-21
2-(trideuteriomethyl)pyrrolidine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(trideuteriomethyl)pyrrolidine-2-carboxylic acid
- 2-(trideuterio(113C)methyl)pyrrolidine-2-carboxylic acid
- DTXSID80745841
- DTXCID20696585
- 1173023-47-6
- 2-Methyl-13C,d3 proline, 98 atom % D, 99 atom % 13C, 98% (CP)
- 2-(~13~C,~2~H_3_)Methylproline
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- Inchi： 1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/i1+1D3
- InChI Key： LWHHAVWYGIBIEU-KQORAOOSSA-N
- SMILES： OC(C1([13C]([2H])([2H])[2H])CCCN1)=O
Computed Properties
- Exact Mass: 133.101163667g/mol
- Monoisotopic Mass: 133.101163667g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 135
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.2
- Topological Polar Surface Area: 49.3?2
2-(trideuteriomethyl)pyrrolidine-2-carboxylic acid Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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