C1CN2CCC1N(CC2)C3=CC(=C(C=C3)N)C(=O)NCC(=O)O
名称: 2-[[2-amino-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)benzoyl]amino]acetic acid
SMILES: C1CN2CCC1N(CC2)C3=CC(=C(C=C3)N)C(=O)NCC(=O)O

Molecular Processing

Molecular formula
C16H22N4O3
Molecular weight
318.38
Exact mass
318.1692
XLogP
0.37
TPSA
98.9
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
87.63

Supplementary Information

InChIKey: RQHGIBAPHTXODB-UHFFFAOYSA-N
同義語
SCHEMBL1667724RQHGIBAPHTXODB-UHFFFAOYSA-N2-(2-Amino-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)benzamido)acetic acid
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