Cas no 184646-39-7 (Butanoic acid,2-amino-3-[(carboxycarbonyl)amino]-)
![Butanoic acid,2-amino-3-[(carboxycarbonyl)amino]- structure](https://ossimg.kuujia.com/scimg/185000/184646-39-7x500.png)
184646-39-7 structure
Product Name:Butanoic acid,2-amino-3-[(carboxycarbonyl)amino]-
CAS No:184646-39-7
MF:C6H10N2O5
MW:190.154001712799
CID:114343
PubChem ID:45120195
Update Time:2025-04-18
Butanoic acid,2-amino-3-[(carboxycarbonyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-amino-3-[(carboxycarbonyl)amino]-
- Butanoic acid, 2-amino-3-[(carboxycarbonyl)amino]-
- 184646-39-7
- 2-Amino-3-(carboxyformamido)butanoic acid
-
- Inchi： 1S/C6H10N2O5/c1-2(3(7)5(10)11)8-4(9)6(12)13/h2-3H,7H2,1H3,(H,8,9)(H,10,11)(H,12,13)
- InChI Key： ZXLBRZJVAOXBAJ-UHFFFAOYSA-N
- SMILES： OC(C(C(C)NC(C(=O)O)=O)N)=O
Computed Properties
- Exact Mass: 190.059
- Monoisotopic Mass: 190.05897142g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.7
- Topological Polar Surface Area: 130?2
Experimental Properties
- PSA: 129.72
Butanoic acid,2-amino-3-[(carboxycarbonyl)amino]- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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