1-benzyl 3-methyl (3S)-pyrrolidine-1,3-dicarboxylate

1-benzyl 3-methyl (3S)-pyrrolidine-1,3-dicarboxylate

CAS: 313706-14-8

Formula: C14H17NO4

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

IUPAC: 1-benzyl 3-methyl (3S)-pyrrolidine-1,3-dicarboxylate

InChI: InChI=1S/C14H17NO4/c1-18-13(16)12-7-8-15(9-12)14(17)19-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m0/s1

Composition: C (63.87%), H (6.51%), N (5.32%), O (24.31%)

Molar Mass: 263.293

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	263.115758031
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JZDIVDBVWXFEMR-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.89
Topological Polar Surface Area	55.84
Polarizability	27.02
Ring Count	2
Rotatable Bond Count	5

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