3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

CAS: 1142214-80-9

Formula: C13H20N2O4

SMILES: CC(=O)N1CCN(CC1)C(=O)C1C(C(O)=O)C1(C)C

IUPAC: 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

InChI: InChI=1/C13H20N2O4/c1-8(16)14-4-6-15(7-5-14)11(17)9-10(12(18)19)13(9,2)3/h9-10H,4-7H2,1-3H3,(H,18,19)

Composition: C (58.19%), H (7.51%), N (10.44%), O (23.85%)

Molar Mass: 268.313

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	268.142307132
Formal Charge	0
FSP3	0.77
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KKWLWXWVUPRSIJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.24
Topological Polar Surface Area	77.92
Polarizability	26.25
Ring Count	2
Rotatable Bond Count	2

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