Home Aminos (S)-Diethyl 2-(5-(methylamino)thiophene-2-carboxamido)pentanedioate

(S)-Diethyl 2-(5-(methylamino)thiophene-2-carboxamido)pentanedioate

CAS No.:
112889-02-8
Catalog Number:
AG0078PS
Molecular Formula:
C15H22N2O5S
Molecular Weight:
342.4106
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Product Description
Catalog Number:
AG0078PS
Chemical Name:
(S)-Diethyl 2-(5-(methylamino)thiophene-2-carboxamido)pentanedioate
CAS Number:
112889-02-8
Molecular Formula:
C15H22N2O5S
Molecular Weight:
342.4106
MDL Number:
MFCD09750956
IUPAC Name:
diethyl (2S)-2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate
InChI:
InChI=1S/C15H22N2O5S/c1-4-21-13(18)9-6-10(15(20)22-5-2)17-14(19)11-7-8-12(16-3)23-11/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,19)/t10-/m0/s1
InChI Key:
OIUDYHGOODXYDK-JTQLQIEISA-N
SMILES:
CCOC(=O)[C@@H](NC(=O)c1ccc(s1)NC)CCC(=O)OCC
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
342.125g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
342.41g/mol
Monoisotopic Mass:
342.125g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties