N-Boc-4-(Fmoc-amino)piperidine-4-carboxylic acid - ≥97% , CAS No.183673-66-7

CAS: 183673-66-7 Cat. No.: B119051 Molecular Weight: 466.53 Beilstein Registry Number: 7609050 EC Number: 634-949-2

GRADE & PURITY ≥97%

Synonyms

FMOC-4-AMINO-1-BOC-PIPERIDINE-4-CARBOXYLIC ACID | 1,4-Piperidinedicarboxylic acid, 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-, 1-(1,1-dimethylethyl) ester | EN300-183590 | N-Boc-4-(Fmoc-amino)piperidine-4-carboxylic acid, >=97.0% (HPLC) | 4-(9H-fluoren-9-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FMOC-4-AMINO-1-BOC-PIPERIDINE-4-CARBOXYLIC ACID | 1, 4-Piperidinedicarboxylic acid, 4-[9H-fluoren-9-yl(methoxycarbonyl)amino]-, 1-(1, 1-dimethylethyl) ester | EN300-183590 | N-Boc-4-(Fmoc-amino)piperidine-4-carboxylic acid, >=97.0% (HPLC) | 4-(9H-fluoren-9-

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761128
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761128
• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
• InChIKey: BOFOACPQHWDRLH-UHFFFAOYSA-N
• INCHI: 1S/C26H30N2O6/c1-25(2,3)34-24(32)28-14-12-26(13-15-28,22(29)30)27-23(31)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• WGK Germany: 3
• Molecular Weight: 466.53
• Beilstein: 7609050
• Reaxy-Rn: 7609053
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7609053&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 Piperidinecarboxylic acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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: 466.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 466.21 Da
• Monoisotopic Mass: 466.21 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 748.000
• 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