Text Search
Structure Search

3-{[(benzyloxy)carbonyl]amino}-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

3-{[(benzyloxy)carbonyl]amino}-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

CAS: 2770486-87-6

Formula: C18H24N2O6

SMILES: CC(C)(C)OC(=O)N1CCC(NC(=O)OCC2=CC=CC=C2)C1C(O)=O

IUPAC: 3-{[(benzyloxy)carbonyl]amino}-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-13(14(20)15(21)22)19-16(23)25-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,23)(H,21,22)

Composition: C (59.33%), H (6.64%), N (7.69%), O (26.34%)

Molar Mass: 364.398

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 364.163436501
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PQTRDZPGWOPCTB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.71
Topological Polar Surface Area 105.17
Polarizability 36.11
Ring Count 2
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2770486-87-6 $2,297.70-$8,047.70$2,297.70$8,047.70
Request Quote