1-tert-butyl 3-ethyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate hydrochloride

1-tert-butyl 3-ethyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate hydrochloride

CAS: 955138-54-2

Formula: C12H23ClN2O4

SMILES: Cl.CCOC(=O)[C@H]1CN(C[C@@H]1N)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 3-ethyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate hydrochloride

InChI: InChI=1S/C12H22N2O4.ClH/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4;/h8-9H,5-7,13H2,1-4H3;1H/t8-,9-;/m0./s1

Composition: C (48.90%), H (7.86%), Cl (12.03%), N (9.50%), O (21.71%)

Molar Mass: 294.78

Atom Count: 42

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	294.1346349
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HBFTTYWPCPPDIT-OZZZDHQUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.7
Topological Polar Surface Area	81.86
Polarizability	26.35
Ring Count	1
Rotatable Bond Count	5

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