COC1CCCN(C1CC(=O)CBr)C(=O)OCC=C
이름: prop-2-enyl (2S,3R)-2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate
SMILES: COC1CCCN(C1CC(=O)CBr)C(=O)OCC=C

Molecular Processing

Molecular formula
C13H20BrNO4
Molecular weight
334.21
Exact mass
333.0576
XLogP
2.14
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
75.49

Supplementary Information

InChIKey: SAWQYKHJYLJONO-NWDGAFQWSA-N
동의어
SCHEMBL9541378SAWQYKHJYLJONO-NWDGAFQWSA-Ntrans-2-(3-BroMo-2-oxopropyl)-3-Methoxy-1-piperidinecarboxylic Acid 2-Propenyl EsterDB-257126allyl trans-2-(3-bromo-2-oxopropyl)-3-methoxy-1-piperidinecarboxylateallyl trans-2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylateallyl trans-3-methoxy-2-(3-bromo-2-oxopropyl)-1-piperidinecarboxylate
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