Home Other Building Blocks 2-(cyclopropylformamido)-4-(methylsulfanyl)butanoic acid

2-(cyclopropylformamido)-4-(methylsulfanyl)butanoic acid

CAS No.:
65054-69-5
Catalog Number:
AG019LOS
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
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Product Description
Catalog Number:
AG019LOS
Chemical Name:
2-(cyclopropylformamido)-4-(methylsulfanyl)butanoic acid
CAS Number:
65054-69-5
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
MDL Number:
MFCD09045469
IUPAC Name:
2-(cyclopropanecarbonylamino)-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C9H15NO3S/c1-14-5-4-7(9(12)13)10-8(11)6-2-3-6/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
YVSSRYJNSPATPC-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NC(=O)C1CC1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.077g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.283g/mol
Monoisotopic Mass:
217.077g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties