Home Carbonyls 3-({1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}formamido)propanoic acid

3-({1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}formamido)propanoic acid

CAS No.:
485317-74-6
Catalog Number:
AG01A6UE
Molecular Formula:
C13H22N2O5
Molecular Weight:
286.3242
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Product Description
Catalog Number:
AG01A6UE
Chemical Name:
3-({1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}formamido)propanoic acid
CAS Number:
485317-74-6
Molecular Formula:
C13H22N2O5
Molecular Weight:
286.3242
MDL Number:
MFCD03231550
IUPAC Name:
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15-8-4-5-9(15)11(18)14-7-6-10(16)17/h9H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChI Key:
KBZSYMDKWLJELJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=O)C1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.153g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.328g/mol
Monoisotopic Mass:
286.153g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties