CC(C)(C)OC(=O)NC(C)(C)CC=CC(=O)O
이름: 5-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid
SMILES: CC(C)(C)OC(=O)NC(C)(C)CC=CC(=O)O

Molecular Processing

Molecular formula
C12H21NO4
Molecular weight
243.3
Exact mass
243.1471
XLogP
2.32
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
64.84

Supplementary Information

InChIKey: NRPOEGFAIJAQIE-UHFFFAOYSA-N
동의어
SCHEMBL1401114GHA64642
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