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85482-85-5 | L-Proline,4-(1-oxobutoxy)-1-(1-oxobutyl)-, trans- (9CI)
CAS No: 85482-85-5 Catalog No: AG004S4Q MDL No:
Product Description
Catalog Number:
AG004S4Q
Chemical Name:
L-Proline,4-(1-oxobutoxy)-1-(1-oxobutyl)-, trans- (9CI)
CAS Number:
85482-85-5
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
IUPAC Name:
(2S,4R)-1-butanoyl-4-butanoyloxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H21NO5/c1-3-5-11(15)14-8-9(7-10(14)13(17)18)19-12(16)6-4-2/h9-10H,3-8H2,1-2H3,(H,17,18)/t9-,10+/m1/s1
InChI Key:
XRFHWHZZTBJRTA-ZJUUUORDSA-N
SMILES:
CCCC(=O)O[C@@H]1C[C@H](N(C1)C(=O)CCC)C(=O)O
EC Number:
287-376-1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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