Cas no 21860-85-5 (Aspartic acid, 1-ethylester)
Aspartic acid, 1-ethylester structure
Product Name:Aspartic acid, 1-ethylester
CAS No:21860-85-5
MF:C6H11NO4
MW:161.155842065811
CID:275788
PubChem ID:274180
Update Time:2025-04-19
Aspartic acid, 1-ethylester Chemical and Physical Properties
Names and Identifiers
-
- Aspartic acid, 1-ethylester
- 3-amino-4-ethoxy-4-oxobutanoic acid
- 3-amino-4-ethoxy-4-oxobutanoic acid(non-preferred name)
- AC1L6U48
- AC1Q5VC2
- AR-1F1795
- aspartic acid ethyl ester
- DL-Asparaginsaeure-1-aethylester
- dl-aspartic acid-1-ethyl ester
- NSC120026
- WXFCDLWCQIARFW-UHFFFAOYSA-N
- 33409-66-4
- dl-aspartic acid 1-ethylester
- SCHEMBL1074665
- DTXSID20298003
- NSC-120026
- AKOS006295517
- 21860-85-5
- .alpha.-Ethyl aspartate
- H-Asp-OEt
- Ethyl Aspartate
- 3-Amino-4-ethoxy-4-oxobutanoic acid #
-
- Inchi: 1S/C6H11NO4/c1-2-11-6(10)4(7)3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)
- InChI Key: WXFCDLWCQIARFW-UHFFFAOYSA-N
- SMILES: O(CC)C(C(CC(=O)O)N)=O
Computed Properties
- Exact Mass: 161.06883
- Monoisotopic Mass: 161.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 157
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -3.2
- Topological Polar Surface Area: 89.6?2
Experimental Properties
- PSA: 89.62
- LogP: 0.05180
Aspartic acid, 1-ethylester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
21860-85-5 (Aspartic acid, 1-ethylester) Related Products
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