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79479-31-5 | D-Alaninamide, 1-acetyl-L-prolyl-N-methyl-
CAS No: 79479-31-5 Catalog No: AG0051TJ MDL No:
Product Description
Catalog Number:
AG0051TJ
Chemical Name:
D-Alaninamide, 1-acetyl-L-prolyl-N-methyl-
CAS Number:
79479-31-5
Molecular Formula:
C11H19N3O3
Molecular Weight:
241.2869
IUPAC Name:
(2S)-1-acetyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C11H19N3O3/c1-7(10(16)12-3)13-11(17)9-5-4-6-14(9)8(2)15/h7,9H,4-6H2,1-3H3,(H,12,16)(H,13,17)/t7-,9+/m1/s1
InChI Key:
MTIYPJFDXFHILR-APPZFPTMSA-N
SMILES:
CNC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
241.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.291g/mol
Monoisotopic Mass:
241.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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