Cas no 791730-19-3 (2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]-)
791730-19-3 structure
Product Name:2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]-
CAS No:791730-19-3
MF:C10H15NO6
MW:245.229203462601
CID:555712
PubChem ID:13174315
Update Time:2025-04-19
2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]- Chemical and Physical Properties
Names and Identifiers
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- 2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]-
- Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]- (9CI)
- 3-[(1-carboxy-3-methylbutyl)carbamoyl]oxirane-2-carboxylic acid
- N-(3-Carboxyoxirane-2-carbonyl)leucine
- 791730-19-3
- DTXSID80524810
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- Inchi: 1S/C10H15NO6/c1-4(2)3-5(9(13)14)11-8(12)6-7(17-6)10(15)16/h4-7H,3H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)
- InChI Key: TZOQFUTZWYTVLZ-UHFFFAOYSA-N
- SMILES: O1C(C(=O)O)C1C(NC(C(=O)O)CC(C)C)=O
Computed Properties
- Exact Mass: 245.08993720g/mol
- Monoisotopic Mass: 245.08993720g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 116?2
2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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