Cas no 497250-64-3 (Butanoic acid, 2-[(4-ethoxy-4-oxobutyl)amino]-, methyl ester, (2S)-)
![Butanoic acid, 2-[(4-ethoxy-4-oxobutyl)amino]-, methyl ester, (2S)- structure](https://ossimg.kuujia.com/scimg/497500/497250-64-3x500.png)
497250-64-3 structure
Product Name:Butanoic acid, 2-[(4-ethoxy-4-oxobutyl)amino]-, methyl ester, (2S)-
CAS No:497250-64-3
MF:C11H21NO4
MW:231.28874373436
CID:1530789
PubChem ID:11183849
Update Time:2025-04-21
Butanoic acid, 2-[(4-ethoxy-4-oxobutyl)amino]-, methyl ester, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-[(4-ethoxy-4-oxobutyl)amino]-, methyl ester, (2S)-
- methyl (2S)-2-[(4-ethoxy-4-oxobutyl)amino]butanoate
- DTXSID00457999
- 497250-64-3
- SCHEMBL4938178
-
- Inchi： 1S/C11H21NO4/c1-4-9(11(14)15-3)12-8-6-7-10(13)16-5-2/h9,12H,4-8H2,1-3H3/t9-/m0/s1
- InChI Key： WKVAUCDDDLTLFX-VIFPVBQESA-N
- SMILES： O(C)C([C@H](CC)NCCCC(=O)OCC)=O
Computed Properties
- Exact Mass: 231.14713
- Monoisotopic Mass: 231.14705815g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 218
- 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: 1.2
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.63
Butanoic acid, 2-[(4-ethoxy-4-oxobutyl)amino]-, methyl ester, (2S)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
497250-64-3 (Butanoic acid, 2-[(4-ethoxy-4-oxobutyl)amino]-, methyl ester, (2S)-) Related Products
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