Text Search
Structure Search

2-[(tert-butoxycarbonyl)amino]-3-[2-(dimethylamino)phenyl]propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-[2-(dimethylamino)phenyl]propanoic acid

CAS: 1259985-99-3

Formula: C16H24N2O4

SMILES: CN(C)C1=CC=CC=C1CC(NC(=O)OC(C)(C)C)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-[2-(dimethylamino)phenyl]propanoic acid

InChI: InChI=1/C16H24N2O4/c1-16(2,3)22-15(21)17-12(14(19)20)10-11-8-6-7-9-13(11)18(4)5/h6-9,12H,10H2,1-5H3,(H,17,21)(H,19,20)

Composition: C (62.32%), H (7.84%), N (9.08%), O (20.75%)

Molar Mass: 308.378

Atom Count: 46

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 308.173607261
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VZQUGMQWPZSJNT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.42
Topological Polar Surface Area 78.87
Polarizability 32.32
Ring Count 1
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1259985-99-3 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
Request Quote