(2S)-1-{(2R)-2-[(tert-Butoxycarbonyl)amino]-2-phenylacetyl}azetidine-2-carboxylic acid

Base Information

• Chemical Name: (2S)-1-{(2R)-2-[(tert-Butoxycarbonyl)amino]-2-phenylacetyl}azetidine-2-carboxylic acid
• CAS No.: 866099-92-5
• Molecular Formula: C17H22 N2 O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10444537
• Wikidata: Q82262700
• Mol file: 866099-92-5.mol

Synonyms:866099-92-5;(2S)-1-{(2R)-2-[(tert-Butoxycarbonyl)amino]-2-phenylacetyl}azetidine-2-carboxylic acid;DTXSID10444537;(2S)-1-[(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetyl]azetidine-2-carboxylic acid;(S)-1-((R)-2-((tert-Butoxycarbonyl)amino)-2-phenylacetyl)azetidine-2-carboxylic acid

Chemical Property of (2S)-1-{(2R)-2-[(tert-Butoxycarbonyl)amino]-2-phenylacetyl}azetidine-2-carboxylic acid

Chemical Property:

• PSA: 95.94000
• LogP: 2.26670
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 334.15287181
• Heavy Atom Count: 24
• Complexity: 494

Purity/Quality:

(2S,2'R)-1-(2-N-BOC-AMINO-2-PHENYL-ACETYL)-AZETIDINE-2-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N2CCC2C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)C(=O)N2CC[C@H]2C(=O)O

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