Fmoc-D-cyclopropylalanine - ≥95% , CAS No.170642-29-2

CAS: 170642-29-2 Cat. No.: R587630 Molecular Weight: 351.39 EC Number: 182-778-2

GRADE & PURITY ≥95%

Synonyms

A811219 | SCHEMBL18075174 | DTXSID80373289 | Fmoc-D-Cyclopropylalanine | N-alpha-(9-Fluorenylmethyloxycarbonyl)-cyclopropyl-D-alanine (Fmoc-D-Cpa-OH) | EN300-3434629 | 3-Cyclopropyl-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-alanine | (2R)-3-cyclopropyl-2-(

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

A811219 | SCHEMBL18075174 | DTXSID80373289 | Fmoc-D-Cyclopropylalanine | N-alpha-(9-Fluorenylmethyloxycarbonyl)-cyclopropyl-D-alanine (Fmoc-D-Cpa-OH) | EN300-3434629 | 3-Cyclopropyl-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-alanine | (2R)-3-cyclopropyl-2-(

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC1CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: DRGUEWQZLABTFG-LJQANCHMSA-N
• INCHI: 1S/C21H21NO4/c23-20(24)19(11-13-9-10-13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t19-/m1/s1
• Isomeric SMILES: C1CC1C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Alternate CAS: 170642-29-2
• Molecular Weight: 351.39
• Reaxy-Rn: 36183802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36183802&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 Carbocyclic fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Carbocyclic fatty acid - Fatty acyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic 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: 351.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 351.147 Da
• Monoisotopic Mass: 351.147 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 510.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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