Text Search
Structure Search

tert-butyl N-[(3S)-1-(5-nitropyridin-2-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(5-nitropyridin-2-yl)pyrrolidin-3-yl]carbamate

CAS: 1085841-14-0

Formula: C14H20N4O4

SMILES: CC(C)(C)OC(=O)N[C@H]1CCN(C1)C1=CC=C(C=N1)[N+]([O-])=O

IUPAC: tert-butyl N-[(3S)-1-(5-nitropyridin-2-yl)pyrrolidin-3-yl]carbamate

InChI: InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)16-10-6-7-17(9-10)12-5-4-11(8-15-12)18(20)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,19)/t10-/m0/s1

Composition: C (54.54%), H (6.54%), N (18.17%), O (20.76%)

Molar Mass: 308.338

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 308.14845514
Formal Charge 0
FSP3 0.57
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey UBKUFTDHYMPKTI-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.35
Topological Polar Surface Area 97.6
Polarizability 30.27
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1085841-14-0 $322.29-$464.31$322.29$322.29$464.31$464.31
Request Quote