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114041-77-9 | 2-Butanone, 3-amino-, (3S)-
CAS No: 114041-77-9 Catalog No: AG000AD4 MDL No:
Product Description
Catalog Number:
AG000AD4
Chemical Name:
2-Butanone, 3-amino-, (3S)-
CAS Number:
114041-77-9
Molecular Formula:
C4H9NO
Molecular Weight:
87.1204
IUPAC Name:
(3S)-3-aminobutan-2-one
InChI:
InChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/t3-/m0/s1
InChI Key:
OLYWGXUJESDUAC-VKHMYHEASA-N
SMILES:
CC(=O)[C@@H](N)C
Properties
Complexity:
60.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
87.068g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
87.122g/mol
Monoisotopic Mass:
87.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| The D-methyl group in beta-lactamase evolution: evidence from the Y221G and GC1 mutants of the class C beta-lactamase of Enterobacter cloacae P99. | Biochemistry 20050524 |
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