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(2R)-2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid

CAS: 50654-94-9

Formula: C11H17N3O4

SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CNC=N1)C(O)=O

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid

InChI: InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m1/s1

Composition: C (51.76%), H (6.71%), N (16.46%), O (25.07%)

Molar Mass: 255.274

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 255.121906039
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey AYMLQYFMYHISQO-MRVPVSSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.37
Topological Polar Surface Area 104.31
Polarizability 24.41
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 50654-94-9 $10.35-$116.96$10.35$10.35$19.67$71.42$116.96
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 50654-94-9 $13.87-$136.19$13.87$136.19
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