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26568-08-1 | 2-Pyrrolidinecarboxamide, 1-acetyl-N,N-dimethyl-, (2S)-
CAS No: 26568-08-1 Catalog No: AG002TQD MDL No:
Product Description
Catalog Number:
AG002TQD
Chemical Name:
2-Pyrrolidinecarboxamide, 1-acetyl-N,N-dimethyl-, (2S)-
CAS Number:
26568-08-1
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
IUPAC Name:
(2S)-1-acetyl-N,N-dimethylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C9H16N2O2/c1-7(12)11-6-4-5-8(11)9(13)10(2)3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChI Key:
YMRGXJNAVORFLS-QMMMGPOBSA-N
SMILES:
O=C([C@@H]1CCCN1C(=O)C)N(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Ab initio conformational study of N-acetyl-L-proline-N',N'-dimethylamide: a model for polyproline. | Biophysical chemistry 20050101 |
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