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

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

CAS: 273221-83-3

Formula: C14H20N2O4

SMILES: CC(C)(C)OC(=O)NC1=CC(C[C@H](N)C(O)=O)=CC=C1

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

InChI: InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-10-6-4-5-9(7-10)8-11(15)12(17)18/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

Composition: C (59.99%), H (7.19%), N (9.99%), O (22.83%)

Molar Mass: 280.324

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 280.142307132
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey KBUVEXIPHDIVKZ-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.41
Topological Polar Surface Area 101.65
Polarizability 29.01
Ring Count 1
Rotatable Bond Count 6

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 273221-83-3 $129.60-$311.04$129.60$207.36$311.04
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