Home Carboxys tert-butyl 2-{[(methylcarbamoyl)amino]methyl}pyrrolidine-1-carboxylate

tert-butyl 2-{[(methylcarbamoyl)amino]methyl}pyrrolidine-1-carboxylate

CAS No.:
2044714-01-2
Catalog Number:
AG01BVFR
Molecular Formula:
C12H23N3O3
Molecular Weight:
257.3293
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Product Description
Catalog Number:
AG01BVFR
Chemical Name:
tert-butyl 2-{[(methylcarbamoyl)amino]methyl}pyrrolidine-1-carboxylate
CAS Number:
2044714-01-2
Molecular Formula:
C12H23N3O3
Molecular Weight:
257.3293
MDL Number:
MFCD30486465
IUPAC Name:
tert-butyl 2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-7-5-6-9(15)8-14-10(16)13-4/h9H,5-8H2,1-4H3,(H2,13,14,16)
InChI Key:
OQKZUDCLPBUFQP-UHFFFAOYSA-N
SMILES:
CNC(=O)NCC1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.174g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.334g/mol
Monoisotopic Mass:
257.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties