Fmoc-(R,S)-3-1-carboxymethyl-2-valerolactame - ≥95% , CAS No.209163-25-7

CAS: 209163-25-7 Cat. No.: F338612 Molecular Weight: 394.42 EC Number: 847-123-3

GRADE & PURITY ≥95%

Synonyms

2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid | 2-[3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-2-OXOPIPERIDIN-1-YL]ACETIC ACID | 3-(9H-Fluoren-9-ylmethoxycarbonylamino)-2-oxo-piperidin-1-ylacetic acid | Z2044787951 | SB48613

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid | 2-[3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-2-OXOPIPERIDIN-1-YL]ACETIC ACID | 3-(9H-Fluoren-9-ylmethoxycarbonylamino)-2-oxo-piperidin-1-ylacetic acid | Z2044787951 | SB48613

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488194972
• Canonical Smiles: C1CC(C(=O)N(C1)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
• InChIKey: WGBORFZFCVWACO-UHFFFAOYSA-N
• INCHI: 1S/C22H22N2O5/c25-20(26)12-24-11-5-10-19(21(24)27)23-22(28)29-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18-19H,5,10-13H2,(H,23,28)(H,25,26)
• Isomeric SMILES: C1CC(C(=O)N(C1)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Molecular Weight: 394.42
• Reaxy-Rn: 9809042
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9809042&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Piperidinones Delta lactams Tertiary carboxylic acid amides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Delta-lactam - Piperidinone - Piperidine - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 394.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 394.153 Da
• Monoisotopic Mass: 394.153 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 617.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1