(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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![(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0963f67312d74a30821b64afd964030a.png "(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid")
(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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CAS No:
101555-61-7
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Formula:
C15H21NO4
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Chemical Name:
(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(βR)-;Benzenebutanoic acid,β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(R)-;(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid;(+)-(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid;(R)-3-(tert-Butoxycarbonylamino)-4-phenylbutanoic acid;(3R)-3-[[(tert-Butoxy)carbonyl]amino]-4-phenylbutanoic acid;(3R)-3-[(2-Methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
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CAS No:
(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid Basic Attributes
279.33
279.33
DTXSID50427389
2924299090
Safety Information
22
24/25
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:279.33
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:279.14705815
Monoisotopic Mass:279.14705815
Topological Polar Surface Area:75.6
Heavy Atom Count:20
Complexity:329
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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