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84652-30-2 | Butanediamide, 2-(acetylamino)-, (S)-
CAS No: 84652-30-2 Catalog No: AG004SZV MDL No:
Product Description
Catalog Number:
AG004SZV
Chemical Name:
Butanediamide, 2-(acetylamino)-, (S)-
CAS Number:
84652-30-2
Molecular Formula:
C6H11N3O3
Molecular Weight:
173.1698
IUPAC Name:
(2S)-2-acetamidobutanediamide
InChI:
InChI=1S/C6H11N3O3/c1-3(10)9-4(6(8)12)2-5(7)11/h4H,2H2,1H3,(H2,7,11)(H2,8,12)(H,9,10)/t4-/m0/s1
InChI Key:
OANWRLMVAWRMEK-BYPYZUCNSA-N
SMILES:
NC(=O)C[C@@H](C(=O)N)NC(=O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
173.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.172g/mol
Monoisotopic Mass:
173.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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