CCC(C(=O)OC(C)(C)C)[C@@H](N)O
名称: tert-butyl 2-[(S)-amino(hydroxy)methyl]butanoate
SMILES: CCC(C(=O)OC(C)(C)C)[C@@H](N)O

Molecular Processing

Molecular formula
C9H19NO3
Molecular weight
189.25
Exact mass
189.1365
XLogP
0.63
TPSA
72.55
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
49.82

Supplementary Information

InChIKey: CLWCTACKHJFWBV-MLWJPKLSSA-N
同義語
(S)-2-Boc-aminobutanolSCHEMBL5426250CLWCTACKHJFWBV-MLWJPKLSSA-N
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