Fmoc-(R)-3-amino-3-(3-thienyl)propionic acid - ≥97% , CAS No.511272-46-1

CAS: 511272-46-1 Cat. No.: F337987 Molecular Weight: 393.46 EC Number: 841-094-0 PubChem CID: 2761790

GRADE & PURITY ≥97%

Synonyms

fmoc-(r)-3-amino-3-(3-thienyl)propanoic acid | (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid | EN300-1164484 | PS-12502 | AT33642 | (3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(thiophen-3-yl)propanoic acid | MFCD03428

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

fmoc-(r)-3-amino-3-(3-thienyl)propanoic acid | (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid | EN300-1164484 | PS-12502 | AT33642 | (3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(thiophen-3-yl)propanoic acid | MFCD03428

Specifications & Purity

≥97%

Storage

Store at 2-8°C

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: 504761654
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761654
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CSC=C4
• IUPAC Name: (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid
• InChIKey: FQLMDOMRTRHLFX-HXUWFJFHSA-N
• INCHI: 1S/C22H19NO4S/c24-21(25)11-20(14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m1/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=CSC=C4
• PubChem CID: 2761790
• Molecular Weight: 393.46

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: Thiophenes Heteroaromatic compounds 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 heteropolycyclic compounds
• Substituents: Fluorene - Thiophene - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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: 393.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 393.103 Da
• Monoisotopic Mass: 393.103 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 549.000
• 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