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(3S)-3-[(tert-butoxycarbonyl)amino]-3-(pyridin-3-yl)propanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-3-(pyridin-3-yl)propanoic acid

CAS: 297773-45-6

Formula: C13H18N2O4

SMILES: CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C1=CC=CN=C1

IUPAC: (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid

InChI: InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(7-11(16)17)9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1

Composition: C (58.63%), H (6.81%), N (10.52%), O (24.03%)

Molar Mass: 266.297

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 266.126657068
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GQWRNLFTLLZYBJ-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.7
Topological Polar Surface Area 88.52
Polarizability 26.63
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 297773-45-6 $176.99-$1,162.31$176.99$377.78$1,162.31
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Purity LeadTime CAS PacketSize UnitPrice
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