Cas no 920008-01-1 (Butanoic acid, 2-[(acetylamino)methyl]-3-oxo-, methyl ester)
![Butanoic acid, 2-[(acetylamino)methyl]-3-oxo-, methyl ester structure](https://ossimg.kuujia.com/scimg/920500/920008-01-1x500.png)
920008-01-1 structure
Product Name:Butanoic acid, 2-[(acetylamino)methyl]-3-oxo-, methyl ester
CAS No:920008-01-1
MF:C8H13NO4
MW:187.193122625351
CID:759955
PubChem ID:22151862
Update Time:2025-04-19
Butanoic acid, 2-[(acetylamino)methyl]-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-[(acetylamino)methyl]-3-oxo-, methyl ester
- methyl 2-(acetamidomethyl)-3-oxobutanoate
- Butanoic acid,2-[(acetylamino)methyl]-3-oxo-,methyl ester
- GUMGCWHQSDQJJT-UHFFFAOYSA-N
- methyl 2-acetamidomethyl-3-oxobutyrate
- SCHEMBL2320429
- 920008-01-1
- DTXSID70622990
-
- Inchi： 1S/C8H13NO4/c1-5(10)7(8(12)13-3)4-9-6(2)11/h7H,4H2,1-3H3,(H,9,11)
- InChI Key： GUMGCWHQSDQJJT-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(C)=O)CNC(C)=O)=O
Computed Properties
- Exact Mass: 187.08445790g/mol
- Monoisotopic Mass: 187.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 72.5?2
Butanoic acid, 2-[(acetylamino)methyl]-3-oxo-, methyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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