1-(tert-butoxycarbonyl)-2-oxoazetidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-2-oxoazetidine-3-carboxylic acid

CAS: 1370018-27-1

Formula: C9H13NO5

SMILES: CC(C)(C)OC(=O)N1CC(C(O)=O)C1=O

IUPAC: 1-[(tert-butoxy)carbonyl]-2-oxoazetidine-3-carboxylic acid

InChI: InChI=1/C9H13NO5/c1-9(2,3)15-8(14)10-4-5(6(10)11)7(12)13/h5H,4H2,1-3H3,(H,12,13)

Composition: C (50.23%), H (6.09%), N (6.51%), O (37.17%)

Molar Mass: 215.205

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	215.079372523
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RAFPPTCCCBDDOC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.79
Topological Polar Surface Area	83.91
Polarizability	19.28
Ring Count	1
Rotatable Bond Count	3

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