Cas no 115228-55-2 (3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI))
115228-55-2 structure
Product Name:3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI)
CAS No:115228-55-2
MF:C6H9NO2
MW:127.141161680222
CID:130694
PubChem ID:14132137
Update Time:2025-04-19
3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI)
- 3-Butynoicacid,2-amino-2-methyl-,methylester,(R)-(9CI)
- (r)-alpha-ethynylalanine methyl ester
- methyl (2R)-2-amino-2-methylbut-3-ynoate
- AKOS006365395
- 115228-55-2
-
- Inchi: 1S/C6H9NO2/c1-4-6(2,7)5(8)9-3/h1H,7H2,2-3H3/t6-/m1/s1
- InChI Key: FTZONTNRTSTHNY-ZCFIWIBFSA-N
- SMILES: O(C)C([C@](C#C)(C)N)=O
Computed Properties
- Exact Mass: 127.06337
- Monoisotopic Mass: 127.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 167
- 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: -0.3
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
3-Butynoic acid,2-amino-2-methyl-, methyl ester, (R)- (9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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