COC[C@H]1CCCN1C(=O)c1cc(C(=O)O)cc(-c2ncco2)c1
이름: 3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-(1,3-oxazol-2-yl)benzoic acid
SMILES: COC[C@H]1CCCN1C(=O)c1cc(C(=O)O)cc(-c2ncco2)c1

Molecular Processing

Molecular formula
C17H18N2O5
Molecular weight
330.34
Exact mass
330.1216
XLogP
2.29
TPSA
92.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
84.83

Supplementary Information

InChIKey: LXBGEUHRTSECNV-CQSZACIVSA-N
동의어
SCHEMBL2207198LXBGEUHRTSECNV-CQSZACIVSA-N3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-(oxazol-2-yl)benzoic acid3-((R)-2-(methoxymethyl)pyrrolidine-l-carbonyl)-5-(oxazol-2-yl)benzoic acid
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