Cas no 885517-00-0 ((2S)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester)
![(2S)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester structure](https://ossimg.kuujia.com/scimg/886000/885517-00-0x500.png)
885517-00-0 structure
Product Name:(2S)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester
CAS No:885517-00-0
MF:C9H15NO2
MW:169.220902681351
CID:1120464
PubChem ID:92973580
Update Time:2025-04-20
(2S)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- (2S)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester
- 885517-00-0
- (S)-Methyl quinuclidine-2-carboxylate
- DTXSID001222908
- Methyl (2S)-1-azabicyclo[2.2.2]octane-2-carboxylate
-
- Inchi： 1S/C9H15NO2/c1-12-9(11)8-6-7-2-4-10(8)5-3-7/h7-8H,2-6H2,1H3/t8-/m0/s1
- InChI Key： FAQLMHAFLWKSHD-QMMMGPOBSA-N
- SMILES： O(C)C([C@@H]1CC2CCN1CC2)=O
Computed Properties
- Exact Mass: 169.110278721g/mol
- Monoisotopic Mass: 169.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 29.5?2
(2S)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
885517-00-0 ((2S)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester) Related Products
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