Text Search
Structure Search

methyl (2S,4S)-1-benzyl-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4S)-1-benzyl-4-hydroxypyrrolidine-2-carboxylate

CAS: 1318129-92-8

Formula: C13H17NO3

SMILES: COC(=O)[C@@H]1C[C@H](O)CN1CC1=CC=CC=C1

IUPAC: methyl (2S,4S)-1-benzyl-4-hydroxypyrrolidine-2-carboxylate

InChI: InChI=1S/C13H17NO3/c1-17-13(16)12-7-11(15)9-14(12)8-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3/t11-,12-/m0/s1

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 235.120843411
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JYJKFDHLEYMLDX-RYUDHWBXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.06
Topological Polar Surface Area 49.77
Polarizability 25.4
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1318129-92-8 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
Request Quote