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114636-37-2

114636-37-2 | 1-Pyrrolidinecarboxylic acid, 3-(acetylamino)-, 1,1-dimethylethyl ester, (3S)-

CAS No: 114636-37-2 Catalog No: AG000EVT MDL No:MFCD08704350

Product Description

Catalog Number:
AG000EVT
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(acetylamino)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
114636-37-2
Molecular Formula:
C11H20N2O3
Molecular Weight:
228.2881
MDL Number:
MFCD08704350
IUPAC Name:
tert-butyl (3S)-3-acetamidopyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H20N2O3/c1-8(14)12-9-5-6-13(7-9)10(15)16-11(2,3)4/h9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
InChI Key:
SLFZPSKIMUPQSR-VIFPVBQESA-N
SMILES:
CC(=O)N[C@H]1CCN(C1)C(=O)OC(C)(C)C

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
228.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.292g/mol
Monoisotopic Mass:
228.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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