(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
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![(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fcb489dba1b443ed9a4273496f692ace.png "(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid")
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
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CAS No:
118546-30-8
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Formula:
C15H18N2O3
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Chemical Name:
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
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Synonyms:
Indolebutyric acid-alanine conjugate;118546-30-8;IBA-L-Ala;(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid;DTXSID50349335;ZINC5429011;AKOS010365777;N-[4-(1H-Indole-3-yl)butyryl]-L-alanine;L-alanine, N-[4-(1H-indol-3-yl)-1-oxobutyl]-;L-Alanine, N-[4-(1H-indol-3-yl)-1-oxobutyl]- (9CI)
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CAS No:
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid Basic Attributes
274.31 g/mol
274.13174244 g/mol
DTXSID50349335
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:274.31
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:274.13174244
Monoisotopic Mass:274.13174244
Topological Polar Surface Area:82.2
Heavy Atom Count:20
Complexity:359
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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