1-benzyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate

1-benzyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate

CAS: 1612854-50-8

Formula: C16H21NO4

SMILES: COC(=O)[C@@H]1CC(C)(C)CN1C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 2-methyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate

InChI: InChI=1S/C16H21NO4/c1-16(2)9-13(14(18)20-3)17(11-16)15(19)21-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	291.14705816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KOKLTGOHIRFVHG-ZDUSSCGKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.51
Topological Polar Surface Area	55.84
Polarizability	30.69
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1612854-50-8		$243.80-$7,912.00$243.80$373.75$631.35$1,147.70$2,162.00$7,912.00