Text Search
Structure Search

methyl (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidine-2-carboxylate

CAS: 774235-68-6

Formula: C14H19NO4

SMILES: CCOC1=CC=C(O[C@@H]2CN[C@@H](C2)C(=O)OC)C=C1

IUPAC: methyl (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C14H19NO4/c1-3-18-10-4-6-11(7-5-10)19-12-8-13(15-9-12)14(16)17-2/h4-7,12-13,15H,3,8-9H2,1-2H3/t12-,13-/m0/s1

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 265.131408096
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RIRSMAHRMWAEMN-STQMWFEESA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.62
Topological Polar Surface Area 56.79
Polarizability 27.99
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 774235-68-6 $219.25$219.25
Request Quote