CCCCCCCCCCCCCCCC(C(C(=O)OCC)N)O
Name: ethyl 2-amino-3-hydroxyoctadecanoate
SMILES: CCCCCCCCCCCCCCCC(C(C(=O)OCC)N)O

Molecular Processing

Molecular formula
C20H41NO3
Molecular weight
343.55
Exact mass
343.3086
XLogP
4.72
TPSA
72.55
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
17
Heavy atoms
24
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.95
Molar refractivity
100.93

Supplementary Information

InChIKey: HUJUGQXXTSEVDG-UHFFFAOYSA-N
Synonyms
SCHEMBL7754123ethyl threo-2-amino-3-hydroxyoctadecanoate
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Involved in 2 reactions→

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