4-(1-tert-butyl-5-oxopyrrolidine-3-amido)benzoic acid

4-(1-tert-butyl-5-oxopyrrolidine-3-amido)benzoic acid

CAS: 1142211-10-6

Formula: C16H20N2O4

SMILES: CC(C)(C)N1CC(CC1=O)C(=O)NC1=CC=C(C=C1)C(O)=O

IUPAC: 4-(1-tert-butyl-5-oxopyrrolidine-3-amido)benzoic acid

InChI: InChI=1/C16H20N2O4/c1-16(2,3)18-9-11(8-13(18)19)14(20)17-12-6-4-10(5-7-12)15(21)22/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,21,22)

Composition: C (63.14%), H (6.62%), N (9.20%), O (21.03%)

Molar Mass: 304.346

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	304.142307132
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CPVQVSILCQNSOF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.58
Topological Polar Surface Area	86.71
Polarizability	30.95
Ring Count	2
Rotatable Bond Count	4

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