Cas no 65374-74-5 ( )
structure
Product Name:
CAS No:65374-74-5
MF:C8H16N2O3
MW:188.224242210388
CID:961830
PubChem ID:326182
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-acetamido-3-(propan-2-ylamino)propanoic acid
- AC1L6XTS
- NSC296564
- NSC-296564
- AKOS013907042
- 65374-74-5
- DTXSID20315724
-
-
- Inchi： 1S/C8H16N2O3/c1-5(2)9-4-7(8(12)13)10-6(3)11/h5,7,9H,4H2,1-3H3,(H,10,11)(H,12,13)
- InChI Key： SYPHYBIWPDJJPH-UHFFFAOYSA-N
- SMILES： OC(C(CNC(C)C)NC(C)=O)=O
Computed Properties
- Exact Mass: 188.11618
- Monoisotopic Mass: 188.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 192
- 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: -2.7
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.43
- LogP: 0.35550
Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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