1-tert-butyl 3-methyl (3S)-3-methoxypyrrolidine-1,3-dicarboxylate

1-tert-butyl 3-methyl (3S)-3-methoxypyrrolidine-1,3-dicarboxylate

CAS: 1184174-08-0

Formula: C12H21NO5

SMILES: COC(=O)[C@@]1(CCN(C1)C(=O)OC(C)(C)C)OC

IUPAC: 1-tert-butyl 3-methyl (3S)-3-methoxypyrrolidine-1,3-dicarboxylate

InChI: InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-7-6-12(8-13,17-5)9(14)16-4/h6-8H2,1-5H3/t12-/m0/s1

Composition: C (55.58%), H (8.16%), N (5.40%), O (30.85%)

Molar Mass: 259.302

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	259.14197278
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JMROZMSABTZUTD-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.19
Topological Polar Surface Area	65.07
Polarizability	25.56
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1184174-08-0		$242.11-$624.20$242.11$363.17$484.22$624.20