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1330750-24-7 | 1,3-Pyrrolidinedicarboxylic acid, 4-(2-thienyl)-, 1-(1,1-dimethylethyl) ester, (3R,4R)-rel-
CAS No: 1330750-24-7 Catalog No: AG00146P MDL No:
Product Description
Catalog Number:
AG00146P
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-(2-thienyl)-, 1-(1,1-dimethylethyl) ester, (3R,4R)-rel-
CAS Number:
1330750-24-7
Molecular Formula:
C14H18NO4S-
Molecular Weight:
296.3620
IUPAC Name:
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-2-ylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-7-9(10(8-15)12(16)17)11-5-4-6-20-11/h4-6,9-10H,7-8H2,1-3H3,(H,16,17)/t9-,10-/m0/s1
InChI Key:
CSPYESYABXQNBZ-UWVGGRQHSA-N
SMILES:
O=C(N1C[C@@H]([C@H](C1)C(=O)[O-])c1cccs1)OC(C)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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