3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
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![3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8f9d1031adaf413fad12be9a132d9983.png "3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid")
3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
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CAS No:
34235-81-9
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Formula:
C13H19NO4S
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Chemical Name:
3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
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Synonyms:
N-[(4-methylphenyl)sulfonyl]isoleucine;NSC339916;34235-81-9;N-((4-METHYLPHENYL)SULFONYL)ISOLEUCINE;Oprea1_157360;CBDivE_013913;MLS000681632;CHEMBL1524407;SCHEMBL21538660;3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid;DTXSID30319112;HMS2619D11;ALBB-020029;MFCD00430548;AKOS000130155;AKOS016051430;MCULE-1458009130;NSC-339916;SMR000312316;Isoleucine, N-[(4-methylphenyl)sulfonyl]-;EU-0066885;AB00595018-06;SR-01000390306;SR-01000390306-1
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CAS No:
3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid Basic Attributes
285.36 g/mol
285.10347926 g/mol
339916
DTXSID30319112
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:285.36
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:285.10347926
Monoisotopic Mass:285.10347926
Topological Polar Surface Area:91.8
Heavy Atom Count:19
Complexity:393
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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