Cas no 7554-89-4 (Alanine,3-amino-N-(carboxycarbonyl)-)
7554-89-4 structure
Product Name:Alanine,3-amino-N-(carboxycarbonyl)-
CAS No:7554-89-4
MF:C5H8N2O5
MW:176.127421379089
CID:563826
PubChem ID:107978
Update Time:2025-04-19
Alanine,3-amino-N-(carboxycarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Alanine,3-amino-N-(carboxycarbonyl)-
- beta-N-oxalylaminoalanine
- 3-Amino-2-[(carboxycarbonyl)amino]propanoic acid
- 3-Amino-2-[(carboxycarbonyl)amino]propans?ure
- 3-Amino-N-(carboxycarbonyl)alanine
- Acide 3-amino-2-[(carboxycarbonyl)amino]propano?que
- L-3-Amino-2-(oxalylamino)propanoic acid
- (2-amino-1-carboxyethyl)oxamic acid
- UNII-Z314VG22WI
- CHEBI:173813
- 2-Oxalylamino-3-aminopropionic acid
- Alanine, 3-amino-N-(carboxycarbonyl)-
- Q27294927
- 3-AMINO-2-(CARBOXYFORMAMIDO)PROPANOIC ACID
- 3-amino-N-(carboxycarbonyl)-DL-alanine
- 7554-89-4
- Z314VG22WI
- 3-amino-2-(oxaloamino)propanoic acid
-
- Inchi： 1S/C5H8N2O5/c6-1-2(4(9)10)7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)
- InChI Key： FNXJKVNOUQAQMB-UHFFFAOYSA-N
- SMILES： OC(C(CN)NC(C(=O)O)=O)=O
Computed Properties
- Exact Mass: 176.04334
- Monoisotopic Mass: 176.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 214
- 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: -4.1
- Topological Polar Surface Area: 130?2
Experimental Properties
- Density: 1.596
- Melting Point: 170-172°C
- Refractive Index: 1.556
- PSA: 129.72
Alanine,3-amino-N-(carboxycarbonyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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