Text Search
Structure Search

(2R)-2-[(tert-butoxycarbonyl)amino]-3-(quinolin-4-yl)propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-(quinolin-4-yl)propanoic acid

CAS: 851307-45-4

Formula: C17H20N2O4

SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC=NC2=CC=CC=C12)C(O)=O

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(quinolin-4-yl)propanoic acid

InChI: InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-14(15(20)21)10-11-8-9-18-13-7-5-4-6-12(11)13/h4-9,14H,10H2,1-3H3,(H,19,22)(H,20,21)/t14-/m1/s1

Composition: C (64.54%), H (6.37%), N (8.86%), O (20.23%)

Molar Mass: 316.357

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 316.142307132
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PYIMRQWQFOYRSI-CQSZACIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.91
Topological Polar Surface Area 88.52
Polarizability 34.08
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 851307-45-4 $1,483.50-$2,863.50$1,483.50$2,863.50$11,109.00
Request Quote