Cas no 111138-65-9 (2,5-Pyrrolidinedicarboxylicacid, 2-methyl ester, (2S,5S)-)
111138-65-9 structure
Product Name:2,5-Pyrrolidinedicarboxylicacid, 2-methyl ester, (2S,5S)-
CAS No:111138-65-9
MF:C7H11NO4
MW:173.166542291641
CID:129128
PubChem ID:25128436
Update Time:2025-04-18
2,5-Pyrrolidinedicarboxylicacid, 2-methyl ester, (2S,5S)- Chemical and Physical Properties
Names and Identifiers
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- 2,5-Pyrrolidinedicarboxylicacid, 2-methyl ester, (2S,5S)-
- 2,5-Pyrrolidinedicarboxylicacid,monomethylester,(2S-trans)-(9CI)
- (2S,5S)-5-(Methoxycarbonyl)pyrrolidine-2-carboxylicacid
- 111138-65-9
- (2S,5S)-5-methoxycarbonylpyrrolidine-2-carboxylic acid
- (2S,5S)-5-(Methoxycarbonyl)pyrrolidine-2-carboxylic acid
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- Inchi： 1S/C7H11NO4/c1-12-7(11)5-3-2-4(8-5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
- InChI Key： VLTGOVIQPFKCQR-WHFBIAKZSA-N
- SMILES： O(C)C([C@@H]1CC[C@@H](C(=O)O)N1)=O
Computed Properties
- Exact Mass: 173.069
- Monoisotopic Mass: 173.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 204
- 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
- Topological Polar Surface Area: 75.6A^2
- XLogP3: -2.4
2,5-Pyrrolidinedicarboxylicacid, 2-methyl ester, (2S,5S)- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
111138-65-9 (2,5-Pyrrolidinedicarboxylicacid, 2-methyl ester, (2S,5S)-) Related Products
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