7-(tert-butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid

7-(tert-butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid

CAS: 1160247-02-8

Formula: C12H18N2O5

SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CC(=NO2)C(O)=O

IUPAC: 7-[(tert-butoxy)carbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid

InChI: InChI=1/C12H18N2O5/c1-11(2,3)18-10(17)14-5-4-12(7-14)6-8(9(15)16)13-19-12/h4-7H2,1-3H3,(H,15,16)

Composition: C (53.33%), H (6.71%), N (10.36%), O (29.60%)

Molar Mass: 270.285

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	270.121571688
Formal Charge	0
FSP3	0.75
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VDBHRLLAIDADMX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.61
Topological Polar Surface Area	88.43
Polarizability	25.38
Ring Count	2
Rotatable Bond Count	3

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