Cas no 68812-95-3 (L-Aspartic acid, monomethyl ester)
68812-95-3 structure
Product Name:L-Aspartic acid, monomethyl ester
CAS No:68812-95-3
MF:C5H8NO4
MW:146.121321678162
CID:392562
PubChem ID:57352248
Update Time:2025-04-19
L-Aspartic acid, monomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid, monomethyl ester
- DTXSID30722480
- Methyl L-aspartate
- SWWBMHIMADRNIK-VKHMYHEASA-M
- (3S)-3-Amino-4-methoxy-4-oxobutanoate
- 68812-95-3
-
- Inchi： 1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/p-1/t3-/m0/s1
- InChI Key： SWWBMHIMADRNIK-VKHMYHEASA-M
- SMILES： O(C)C([C@H](CC(=O)[O-])N)=O
Computed Properties
- Exact Mass: 146.04534
- Monoisotopic Mass: 146.04533274g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 139
- 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: 92.4?2
Experimental Properties
- PSA: 92.45
L-Aspartic acid, monomethyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
68812-95-3 (L-Aspartic acid, monomethyl ester) Related Products
- 21394-81-0(D-Aspartic acid beta-methyl ester hydrochloride)
- 15399-22-1(Methyl (2S)-2-Aminobutanoate)
- 17812-32-7(H-Asp-OMe)
- 2177-62-0(β-Methyl Aspartate)
- 21860-85-5(Aspartic acid, 1-ethylester)
- 65414-77-9(H-DL-Asp-OMe)
- 13552-87-9(L-Aspartic acid,1,4-diethyl ester)
- 65414-78-0(D-Aspartic Acid 1-Methyl Ester)
- 6384-18-5(L-Aspartic acid,1,4-dimethyl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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