Text Search
Structure Search

2-[(tert-butoxycarbonyl)amino]-6-methoxypyridine-3-carboxylic acid

2-[(tert-butoxycarbonyl)amino]-6-methoxypyridine-3-carboxylic acid

CAS: 1373223-33-6

Formula: C12H16N2O5

SMILES: COC1=CC=C(C(O)=O)C(NC(=O)OC(C)(C)C)=N1

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-6-methoxypyridine-3-carboxylic acid

InChI: InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-9-7(10(15)16)5-6-8(13-9)18-4/h5-6H,1-4H3,(H,15,16)(H,13,14,17)

Composition: C (53.73%), H (6.01%), N (10.44%), O (29.82%)

Molar Mass: 268.269

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 268.105921623
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey BDBVKVWYFFCKGX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.54
Topological Polar Surface Area 97.75
Polarizability 25.51
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1373223-33-6 $631.35-$4,597.70$631.35$1,147.70$4,597.70
Request Quote