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(2S)-3-(1H-imidazol-4-yl)-2-formamidopropanoic acid

(2S)-3-(1H-imidazol-4-yl)-2-formamidopropanoic acid

CAS: 15191-21-6

Formula: C7H9N3O3

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

IUPAC: (2S)-3-(1H-imidazol-4-yl)-2-formamidopropanoic acid

InChI: InChI=1S/C7H9N3O3/c11-4-10-6(7(12)13)1-5-2-8-3-9-5/h2-4,6H,1H2,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1

Composition: C (45.90%), H (4.95%), N (22.94%), O (26.20%)

Molar Mass: 183.167

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 183.064391162
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WFQVSLVQIFFQQN-LURJTMIESA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.45
Topological Polar Surface Area 95.08
Polarizability 16.39
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 15191-21-6 $109.25-$247.25$109.25$247.25
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 15191-21-6 $84.87-$238.05$84.87$238.05
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