Home Other Building Blocks 3-{[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acid

3-{[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acid

CAS No.:
95454-17-4
Catalog Number:
AG01A0O4
Molecular Formula:
C10H15N3O3S
Molecular Weight:
257.3094
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Product Description
Catalog Number:
AG01A0O4
Chemical Name:
3-{[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acid
CAS Number:
95454-17-4
Molecular Formula:
C10H15N3O3S
Molecular Weight:
257.3094
MDL Number:
MFCD07364250
IUPAC Name:
4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C10H15N3O3S/c1-6(2)5-8-12-13-10(17-8)11-7(14)3-4-9(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,13,14)
InChI Key:
KAJRYTMYEDXNHU-UHFFFAOYSA-N
SMILES:
CC(Cc1nnc(s1)NC(=O)CCC(=O)O)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.308g/mol
Monoisotopic Mass:
257.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties