Cas no 816444-95-8 (3-Amino-4-cyclobutyl-2-oxobutanamide)
816444-95-8 structure
Product Name:3-Amino-4-cyclobutyl-2-oxobutanamide
CAS No:816444-95-8
MF:C8H14N2O2
MW:170.208961963654
CID:2129780
PubChem ID:11367243
Update Time:2025-04-21
3-Amino-4-cyclobutyl-2-oxobutanamide Chemical and Physical Properties
Names and Identifiers
-
- 3-Amino-4-cyclobutyl-2-oxobutanamide
- 816444-95-8
- DA-18264
- SCHEMBL1627941
- starbld0044818
-
- Inchi： 1S/C8H14N2O2/c9-6(7(11)8(10)12)4-5-2-1-3-5/h5-6H,1-4,9H2,(H2,10,12)
- InChI Key： MCFRTSHBKQNPED-UHFFFAOYSA-N
- SMILES： O=C(C(N)=O)C(CC1CCC1)N
Computed Properties
- Exact Mass: 170.105527694g/mol
- Monoisotopic Mass: 170.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 199
- 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: 0.2
- Topological Polar Surface Area: 86.2?2
3-Amino-4-cyclobutyl-2-oxobutanamide Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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