Cas no 263017-01-2 (3-Butynoicacid,2-amino-2-methyl-,(2R)-(9CI))
263017-01-2 structure
Product Name:3-Butynoicacid,2-amino-2-methyl-,(2R)-(9CI)
CAS No:263017-01-2
MF:C5H7NO2
MW:113.114581346512
CID:914412
PubChem ID:10909531
Update Time:2024-02-29
3-Butynoicacid,2-amino-2-methyl-,(2R)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 3-Butynoicacid,2-amino-2-methyl-,(2R)-(9CI)
- 3-Butynoic acid, 2-amino-2-methyl-, (2R)-
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- Inchi： 1S/C5H7NO2/c1-3-5(2,6)4(7)8/h1H,6H2,2H3,(H,7,8)/t5-/m1/s1
- InChI Key： CDDYDNDKMRLQEC-RXMQYKEDSA-N
- SMILES： C(O)(=O)[C@@](N)(C)C#C
Computed Properties
- Exact Mass: 113.047678466g/mol
- Monoisotopic Mass: 113.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 155
- 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: -2.9
- Topological Polar Surface Area: 63.3?2
3-Butynoicacid,2-amino-2-methyl-,(2R)-(9CI) Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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