이름: 1,1-Dimethylethyl {(1S)-1-[(2-propen-1-ylamino)carbonyl]-3-buten-1-yl}carbamate
SMILES:
C=CCNC(=O)[C@H](CC=C)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C13H22N2O3
Molecular weight
254.33
Exact mass
254.163
XLogP
1.76
TPSA
67.43
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
71.18
Supplementary Information
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