Home Carboxys 5-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}thiophene-2-carboxylic acid

5-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}thiophene-2-carboxylic acid

CAS No.:
1103394-61-1
Catalog Number:
AG01A5SM
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
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Product Description
Catalog Number:
AG01A5SM
Chemical Name:
5-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}thiophene-2-carboxylic acid
CAS Number:
1103394-61-1
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
MDL Number:
MFCD22393803
IUPAC Name:
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-8-4-5-9(15)10-6-7-11(20-10)12(16)17/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)
InChI Key:
BOVWWZSFTTXBDQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1c1ccc(s1)C(=O)O)OC(C)(C)C
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties