Fmoc-4-amino-1-carboxymethyl-piperidine - ≥95% , CAS No.221352-82-5

CAS: 221352-82-5 Cat. No.: F182915 Molecular Weight: 380.4 EC Number: 846-087-6

GRADE & PURITY ≥95%

Synonyms

EN300-322341 | 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]acetic acid | DTXSID80373264 | 2-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)piperidin-1-yl)acetic acid | 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin-1-yl]acetic acid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-322341 | 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]acetic acid | DTXSID80373264 | 2-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)piperidin-1-yl)acetic acid | 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin-1-yl]acetic acid

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193004
• Canonical Smiles: C1CN(CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
• IUPAC Name: 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]acetic acid
• InChIKey: VLQJIWJYRZIBMP-UHFFFAOYSA-N
• INCHI: 1S/C22H24N2O4/c25-21(26)13-24-11-9-15(10-12-24)23-22(27)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,23,27)(H,25,26)
• Isomeric SMILES: C1CN(CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
• Molecular Weight: 380.4
• Reaxy-Rn: 27937762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27937762&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 Piperidines Carbamate esters Trialkylamines Organic carbonic acids and derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid - Alpha-amino acid or derivatives - Piperidine - Carbamic acid ester - Amino acid or derivatives - Amino acid - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen 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: 380.400 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 380.174 Da
• Monoisotopic Mass: 380.174 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 539.000
• 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