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(3R)-3-[(tert-butoxycarbonyl)amino]-4-(thiophen-2-yl)butanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-4-(thiophen-2-yl)butanoic acid

CAS: 269726-89-8

Formula: C13H19NO4S

SMILES: CC(C)(C)OC(=O)N[C@H](CC(O)=O)CC1=CC=CS1

IUPAC: (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(thiophen-2-yl)butanoic acid

InChI: InChI=1S/C13H19NO4S/c1-13(2,3)18-12(17)14-9(8-11(15)16)7-10-5-4-6-19-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1

Composition: C (54.72%), H (6.71%), N (4.91%), O (22.43%), S (11.24%)

Molar Mass: 285.36

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 285.10347927
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey USQYZXFFROGLRS-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.61
Topological Polar Surface Area 75.63
Polarizability 28.05
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 269726-89-8 $185.37-$2,341.68$185.37$319.03$633.02$2,341.68
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