2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid - ≥97% , CAS No.218926-46-6

CAS: 218926-46-6 Cat. No.: E632063 Peso molecular: 353.41 Número EC: 866-674-0 PubChem CID: 15485625

GRADE & PURITY ≥97%

Synonyms

Fmoc-3-aminopentane-3-carboxylic acid | 2-Ethyl-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid | Fmoc-alpha,alpha-diethyl-DL-glycine | AKOS017406371 | MFCD02092977 | N-alpha-(9-Fluorenylmethyloxycarbonyl)-diethyl glycine (Fmoc-Deg-OH) | 2-((((9H

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Fmoc-3-aminopentane-3-carboxylic acid | 2-Ethyl-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid | Fmoc-alpha, alpha-diethyl-DL-glycine | AKOS017406371 | MFCD02092977 | N-alpha-(9-Fluorenylmethyloxycarbonyl)-diethyl glycine (Fmoc-Deg-OH) | 2-((((9H

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCC(CC)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
• InChIKey: NUABWLRFIOIRJG-UHFFFAOYSA-N
• INCHI: 1S/C21H23NO4/c1-3-21(4-2,19(23)24)22-20(25)26-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
• Isómeros SMILES: CCC(CC)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• CAS alternativo: 218926-46-6
• PubChem CID: 15485625
• Peso molecular: 353.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 353.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 353.163 Da
• Monoisotopic Mass: 353.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 494.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Chao Chen, Hongxia Zhang, Lingling Qi, Haoqi Lei, Xuefei Feng, Yingjie Chen, Yuanyuan Cheng, Defeng Pang, Jufeng Wan, Haiying Xu, Shifeng Cao, Baofeng Yang, Yan Zhang, Xin Zhao.  (2025)  Obesity-driven oleoylcarnitine accumulation in tumor microenvironment promotes breast cancer metastasis-like phenotype.  Acta Pharmaceutica Sinica B,      [PMID:40486851] [10.1016/j.apsb.2025.02.026]

2. Yangyang Sun, Heyun Zhang, Huan Zhang, Jihong Huang, Liping Du, Juan Wang.  (2025)  Comprehensive Investigation of Grade-Specific Aroma Signatures in Nongxiangxing Baijiu Using Flavoromics Approaches.  Foods,  14  (21): (3781).  [PMID:41227751] [10.3390/foods14213781]

3. Kaili He, Mouming Zhao, Xing Tong, Yunzi Feng.  (2025)  Reveal the flavor quality changes of soy sauce during shelf life through metabolomics.  FOOD CHEMISTRY,      [PMID:41443118] [10.1016/j.foodchem.2025.147650]

4. Yanjia Liu, Tingting Bai, Daohong Wu, Maojun Yao.  (2025)  Elucidating the aging mechanism of Fuyu-flavor Baijiu mediated by metal ions via GC–MS, spectroscopy, electrochemistry, and SEM-EDS.  FOOD CHEMISTRY,      [PMID:41435540] [10.1016/j.foodchem.2025.147641]