(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

Base Information

• Chemical Name: (S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
• CAS No.: 129423-33-2
• Molecular Formula: C₁₅H₁₉N₃O₄
• Molecular Weight: 305.334
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90563912
• Nikkaji Number: J727.812H
• Wikidata: Q82448426
• Mol file: 129423-33-2.mol

Synonyms:146610-21-1;(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;(S)-2-(Boc-amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)- (9CI);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;BOC-L-7-AZATRP;Boc-7-AzaTrp-OH;Boc-7-aza-L-tryptophan;DTXSID90563912;(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}propanoic acid;MFCD08273059;BS-50353;CS-0196802;N-(tert-Butoxycarbonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine;(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoicacid

Chemical Property of (S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

Chemical Property:

• PSA: 104.31000
• LogP: 2.47420
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 305.13755610
• Heavy Atom Count: 22
• Complexity: 422

Purity/Quality:

98%min ^*data from raw suppliers

Boc-DL-7-azatryptophan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=CC=N2)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=CC=N2)C(=O)O
• Uses: 2-((Tert-butoxycarbonyl)amino)-3-(1h-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid is used as a reactant in the preparation of a 7-azatryptophan containing synthetic peptide.