1-(tert-butoxycarbonyl)-3-cyanoazetidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-3-cyanoazetidine-3-carboxylic acid

CAS: 1158759-45-5

Formula: C10H14N2O4

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

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

InChI: InChI=1S/C10H14N2O4/c1-9(2,3)16-8(15)12-5-10(4-11,6-12)7(13)14/h5-6H2,1-3H3,(H,13,14)

Composition: C (53.09%), H (6.24%), N (12.38%), O (28.29%)

Molar Mass: 226.232

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	226.095356939
Formal Charge	0
FSP3	0.7
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XZXUUIMQZYMXJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.76
Topological Polar Surface Area	90.63
Polarizability	20.84
Ring Count	1
Rotatable Bond Count	3

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