3-{[1-(tert-butoxycarbonyl)pyrrolidin-3-yl]oxy}benzoic acid

3-{[1-(tert-butoxycarbonyl)pyrrolidin-3-yl]oxy}benzoic acid

CAS: 250681-87-9

Formula: C16H21NO5

SMILES: CC(C)(C)OC(=O)N1CCC(C1)OC1=CC=CC(=C1)C(O)=O

IUPAC: 3-({1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}oxy)benzoic acid

InChI: InChI=1/C16H21NO5/c1-16(2,3)22-15(20)17-8-7-13(10-17)21-12-6-4-5-11(9-12)14(18)19/h4-6,9,13H,7-8,10H2,1-3H3,(H,18,19)

Composition: C (62.53%), H (6.89%), N (4.56%), O (26.03%)

Molar Mass: 307.346

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	307.14197278
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SXRIFGDPTJFUDM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.06
Topological Polar Surface Area	76.07
Polarizability	31.13
Ring Count	2
Rotatable Bond Count	5

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