5-(tert-butoxycarbonyl)-5-azaspiro[2.5]octane-1-carboxylic acid

5-(tert-butoxycarbonyl)-5-azaspiro[2.5]octane-1-carboxylic acid

CAS: 1363382-36-8

Formula: C13H21NO4

SMILES: CC(C)(C)OC(=O)N1CCCC2(CC2C(O)=O)C1

IUPAC: 5-[(tert-butoxy)carbonyl]-5-azaspiro[2.5]octane-1-carboxylic acid

InChI: InChI=1/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(8-14)7-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	255.14705816
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JKPWYFGEQHQKIK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.14
Topological Polar Surface Area	66.84
Polarizability	25.7
Ring Count	2
Rotatable Bond Count	3

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