Cas no 740736-19-0 (1H-Pyrazole-1-propanoicacid, a-amino-, methyl ester, (aS)-)
740736-19-0 structure
Product Name:1H-Pyrazole-1-propanoicacid, a-amino-, methyl ester, (aS)-
CAS No:740736-19-0
MF:C7H11N3O2
MW:169.181141138077
CID:560048
PubChem ID:45082686
Update Time:2025-04-19
1H-Pyrazole-1-propanoicacid, a-amino-, methyl ester, (aS)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-propanoicacid, a-amino-, methyl ester, (aS)-
- 1H-Pyrazole-1-propanoicacid, a-amino-, methyl ester, (S)- (9CI)
- 1H-Pyrazole-1-propanoicacid,alpha-amino-,methylester,(S)-(9CI)
- methyl (2S)-2-amino-3-pyrazol-1-ylpropanoate
- SCHEMBL5225713
- 740736-19-0
- (S)-Methyl 2-amino-3-(1H-pyrazol-1-yl)propanoate
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- Inchi： 1S/C7H11N3O2/c1-12-7(11)6(8)5-10-4-2-3-9-10/h2-4,6H,5,8H2,1H3/t6-/m0/s1
- InChI Key： CBKIBRUHOBWZGS-LURJTMIESA-N
- SMILES： O(C)C([C@H](CN1C=CC=N1)N)=O
Computed Properties
- Exact Mass: 169.085
- Monoisotopic Mass: 169.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 163
- 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
- Topological Polar Surface Area: 70.1A^2
- XLogP3: -0.8
1H-Pyrazole-1-propanoicacid, a-amino-, methyl ester, (aS)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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