3-Amino-3-(2-naphthyl)propionic acid - ≥97% , CAS No.129042-57-5

CAS: 129042-57-5 Cat. No.: A190471 Molecular Weight: 215.25

GRADE & PURITY ≥97%

Synonyms

FT-0687320 | DTXSID10441748 | EN300-137597 | SCHEMBL2361 | DS-13402 | AKOS000177444 | AB17730 | AC-23769 | FD1088 | threo-2-(2,4-Difluorophenyl)-3-methylsulfonyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol | 3-AMINO-3-(2-NAPHTHYL)PROPANOIC ACID | 3-AMINO-3-(2-NAP

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FT-0687320 | DTXSID10441748 | EN300-137597 | SCHEMBL2361 | DS-13402 | AKOS000177444 | AB17730 | AC-23769 | FD1088 | threo-2-(2, 4-Difluorophenyl)-3-methylsulfonyl-1-(1H-1, 2, 4-triazol-1-yl)butan-2-ol | 3-AMINO-3-(2-NAPHTHYL)PROPANOIC ACID | 3-AMINO-3-(2-NAP

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

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)C(CC(=O)O)N
• IUPAC Name: 3-amino-3-naphthalen-2-ylpropanoic acid
• InChIKey: JASNXOXPNZWQRV-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO2/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,14H2,(H,15,16)
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)C(CC(=O)O)N
• Molecular Weight: 215.25
• Reaxy-Rn: 3269292
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3269292&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Naphthalenes Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Beta amino acid or derivatives - Naphthalene - Aralkylamine - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

Associated Targets(non-human)

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 215.250 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.095 Da
• Monoisotopic Mass: 215.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• 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