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tert-butyl N-[(2S)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]carbamate

CAS: 138356-92-0

Formula: C12H22N2O3

SMILES: C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1

IUPAC: tert-butyl N-[(2S)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]carbamate

InChI: InChI=1S/C12H22N2O3/c1-9(10(15)14-7-5-6-8-14)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1

Composition: C (59.48%), H (9.15%), N (11.56%), O (19.81%)

Molar Mass: 242.319

Atom Count: 39

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 242.163042576
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LYZNPJJKVMGOQL-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.53
Topological Polar Surface Area 58.64
Polarizability 25.25
Ring Count 1
Rotatable Bond Count 4

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