Home Other Building Blocks 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]propanoic acid

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]propanoic acid

CAS No.:
1156424-49-5
Catalog Number:
AG01A9S0
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
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Product Description
Catalog Number:
AG01A9S0
Chemical Name:
3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]propanoic acid
CAS Number:
1156424-49-5
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
MDL Number:
MFCD12112379
IUPAC Name:
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C9H11N3O4/c13-6(3-4-7(14)15)10-9-12-11-8(16-9)5-1-2-5/h5H,1-4H2,(H,14,15)(H,10,12,13)
InChI Key:
XROHUCKSBRCXHS-UHFFFAOYSA-N
SMILES:
O=C(Nc1nnc(o1)C1CC1)CCC(=O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.204g/mol
Monoisotopic Mass:
225.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties