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(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid

(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid

CAS: 67424-93-5

Formula: C14H15N3O4

SMILES: OC(=O)[C@@H](CC1=CNC=N1)NC(=O)OCC1=CC=CC=C1

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

InChI: InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)/t12-/m1/s1

Composition: C (58.13%), H (5.23%), N (14.53%), O (22.12%)

Molar Mass: 289.291

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 289.106255975
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WCOJOHPAKJFUDF-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.17
Topological Polar Surface Area 104.31
Polarizability 28.42
Ring Count 2
Rotatable Bond Count 7

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98% <7 Days 67424-93-5 $9.32-$101.43$9.32$30.02$101.43
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