Home Carboxys acetic acid, tert-butyl 3-carbamimidoylpyrrolidine-1-carboxylate

acetic acid, tert-butyl 3-carbamimidoylpyrrolidine-1-carboxylate

CAS No.:
2137539-38-7
Catalog Number:
AG01EIFA
Molecular Formula:
C12H23N3O4
Molecular Weight:
273.3287
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Product Description
Catalog Number:
AG01EIFA
Chemical Name:
acetic acid, tert-butyl 3-carbamimidoylpyrrolidine-1-carboxylate
CAS Number:
2137539-38-7
Molecular Formula:
C12H23N3O4
Molecular Weight:
273.3287
MDL Number:
MFCD31421890
IUPAC Name:
acetic acid;tert-butyl 3-carbamimidoylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19N3O2.C2H4O2/c1-10(2,3)15-9(14)13-5-4-7(6-13)8(11)12;1-2(3)4/h7H,4-6H2,1-3H3,(H3,11,12);1H3,(H,3,4)
InChI Key:
OAHGXPIHEIOVQK-UHFFFAOYSA-N
SMILES:
NC(=N)C1CCN(C1)C(=O)OC(C)(C)C.CC(=O)O
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.169g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.333g/mol
Monoisotopic Mass:
273.169g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties