Cas no 114148-83-3 (Butanoic acid,glycylglycyl-2-amino- (9CI))
114148-83-3 structure
Product Name:Butanoic acid,glycylglycyl-2-amino- (9CI)
CAS No:114148-83-3
MF:C8H15N3O4
MW:217.222401857376
CID:106186
PubChem ID:61162169
Update Time:2025-04-18
Butanoic acid,glycylglycyl-2-amino- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid,glycylglycyl-2-amino- (9CI)
- Butanoic acid,glycylglycyl-2-amino-(9ci)
- 114148-83-3
- AKOS010408470
- Butanoic acid, glycylglycyl-2-amino- (9CI)
-
- Inchi： 1S/C8H15N3O4/c1-2-5(8(14)15)11-7(13)4-10-6(12)3-9/h5H,2-4,9H2,1H3,(H,10,12)(H,11,13)(H,14,15)
- InChI Key： WWXSGNZYWALCJN-UHFFFAOYSA-N
- SMILES： OC(C(CC)NC(CNC(CN)=O)=O)=O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 217.10625597g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 254
- 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
- XLogP3: -3.8
- Topological Polar Surface Area: 122?2
Experimental Properties
- PSA: 52.54
Butanoic acid,glycylglycyl-2-amino- (9CI) Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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