5-amino-2-[(oxolan-2-ylmethyl)amino]benzoic acid

5-amino-2-[(oxolan-2-ylmethyl)amino]benzoic acid

CAS: 896717-80-9

Formula: C12H16N2O3

SMILES: NC1=CC(C(O)=O)=C(NCC2CCCO2)C=C1

IUPAC: 5-amino-2-{[(oxolan-2-yl)methyl]amino}benzoic acid

InChI: InChI=1/C12H16N2O3/c13-8-3-4-11(10(6-8)12(15)16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2,(H,15,16)

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	236.116092383
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	WDIRKHDCKISVHQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.46
Topological Polar Surface Area	84.58
Polarizability	24.14
Ring Count	2
Rotatable Bond Count	4

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