methyl (2S,4R)-4-[(tert-butoxycarbonyl)amino]pyrrolidine-2-carboxylate

methyl (2S,4R)-4-[(tert-butoxycarbonyl)amino]pyrrolidine-2-carboxylate

CAS: 473806-21-2

Formula: C11H20N2O4

SMILES: COC(=O)[C@@H]1C[C@H](CN1)NC(=O)OC(C)(C)C

IUPAC: methyl (2S,4R)-4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-2-carboxylate

InChI: InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-8(12-6-7)9(14)16-4/h7-8,12H,5-6H2,1-4H3,(H,13,15)/t7-,8+/m1/s1

Composition: C (54.08%), H (8.25%), N (11.47%), O (26.20%)

Molar Mass: 244.291

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	244.142307132
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QOJVDTYOYUAFQA-SFYZADRCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.68
Topological Polar Surface Area	76.66
Polarizability	24.53
Ring Count	1
Rotatable Bond Count	5

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