Text Search
Structure Search

2-amino-3-(quinolin-4-yl)propanoic acid

2-amino-3-(quinolin-4-yl)propanoic acid

CAS: 1991-98-6

Formula: C12H12N2O2

SMILES: NC(CC1=CC=NC2=CC=CC=C12)C(O)=O

IUPAC: 2-amino-3-(quinolin-4-yl)propanoic acid

InChI: InChI=1/C12H12N2O2/c13-10(12(15)16)7-8-5-6-14-11-4-2-1-3-9(8)11/h1-6,10H,7,13H2,(H,15,16)

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 216.089877634
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZUYBRQWHZZVAHM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.04
Topological Polar Surface Area 76.21
Polarizability 24.51
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1991-98-6 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
Request Quote