tert-butyl pyrrolidine-3-carboxylate

tert-butyl pyrrolidine-3-carboxylate

CAS: 91040-52-7

Formula: C9H17NO2

SMILES: CC(C)(C)OC(=O)C1CCNC1

IUPAC: tert-butyl pyrrolidine-3-carboxylate

InChI: InChI=1/C9H17NO2/c1-9(2,3)12-8(11)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3

Composition: C (63.13%), H (10.01%), N (8.18%), O (18.69%)

Molar Mass: 171.24

Atom Count: 29

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	171.125928791
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XWAHLXHVEMYNMY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.89
Topological Polar Surface Area	38.33
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	3

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