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(2S)-2-amino-3-[4-(tert-butoxycarbonyl)phenyl]propanoic acid

(2S)-2-amino-3-[4-(tert-butoxycarbonyl)phenyl]propanoic acid

CAS: 218962-77-7

Formula: C14H19NO4

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

IUPAC: (2S)-2-amino-3-{4-[(tert-butoxy)carbonyl]phenyl}propanoic acid

InChI: InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)10-6-4-9(5-7-10)8-11(15)12(16)17/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.131408096
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KDWYFVGLKNKOMV-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.95
Topological Polar Surface Area 89.62
Polarizability 27.85
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
99% <7 Days 218962-77-7 $290.84-$3,078.09$290.84$483.35$880.79$3,078.09
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