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benzyl N-[(1S)-1-carbamoyl-2-methylpropyl]carbamate

benzyl N-[(1S)-1-carbamoyl-2-methylpropyl]carbamate

CAS: 13139-28-1

Formula: C13H18N2O3

SMILES: CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(N)=O

IUPAC: benzyl N-[(1S)-1-carbamoyl-2-methylpropyl]carbamate

InChI: InChI=1S/C13H18N2O3/c1-9(2)11(12(14)16)15-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,15,17)/t11-/m0/s1

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 250.131742448
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey LWAHIZLDUQONHV-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 67
Topological Polar Surface Area 81.42
Polarizability 26.34
Ring Count 1
Rotatable Bond Count 6

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