tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate

tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate

CAS: 1259034-35-9

Formula: C10H15NO3

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

IUPAC: tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate

InChI: InChI=1S/C10H15NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h1,13H,6-7H2,2-4H3

Composition: C (60.90%), H (7.67%), N (7.10%), O (24.34%)

Molar Mass: 197.234

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	197.105193347
Formal Charge	0
FSP3	0.7
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VAWFBGXKDDJABY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.15
Topological Polar Surface Area	49.77
Polarizability	19.89
Ring Count	1
Rotatable Bond Count	2

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