Text Search
Structure Search

(2S,4S)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenoxy)pyrrolidine-2-carboxylic acid

CAS: 1217803-05-8

Formula: C16H19Cl2NO5

SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(O)=O)OC1=CC(Cl)=C(Cl)C=C1

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-(3,4-dichlorophenoxy)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C16H19Cl2NO5/c1-16(2,3)24-15(22)19-8-10(7-13(19)14(20)21)23-9-4-5-11(17)12(18)6-9/h4-6,10,13H,7-8H2,1-3H3,(H,20,21)/t10-,13-/m0/s1

Composition: C (51.08%), H (5.09%), Cl (18.84%), N (3.72%), O (21.26%)

Molar Mass: 376.23

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 375.0640281
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey INOVDGQOSGBMLA-GWCFXTLKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.25
Topological Polar Surface Area 76.07
Polarizability 35.05
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1217803-05-8 $374.33-$575.39$374.33$575.39
Request Quote