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methyl (2R)-2-amino-3-(quinolin-4-yl)propanoate

methyl (2R)-2-amino-3-(quinolin-4-yl)propanoate

CAS: 1213114-42-1

Formula: C13H14N2O2

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

IUPAC: methyl (2R)-2-amino-3-(quinolin-4-yl)propanoate

InChI: InChI=1S/C13H14N2O2/c1-17-13(16)11(14)8-9-6-7-15-12-5-3-2-4-10(9)12/h2-7,11H,8,14H2,1H3/t11-/m1/s1

Composition: C (67.81%), H (6.13%), N (12.17%), O (13.90%)

Molar Mass: 230.267

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 230.105527699
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JFUVBYPWQODCML-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.81
Topological Polar Surface Area 65.21
Polarizability 26.61
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1213114-42-1 $458.85-$2,863.50$458.85$802.70$1,489.25$2,863.50$11,454.00
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