2-Cyclopropylalanine - ≥95% , CAS No.5687-72-9

CAS: 5687-72-9 Cat. No.: C171029 Formula: C₆H₁₁NO₂ Molecular Weight: 129.16 EC Number: 822-128-3

GRADE & PURITY ≥95%

Synonyms

2-Cyclopropylalanine (H-DL-aMeGly(cPr)-OH) | alpha-Amino-alpha-methylcyclopropaneacetic acid | MS-1645 | NSC39061 | NSC-39061 | MFCD00039430 | AKOS000194768 | 2-AMINO-2-CYCLOPROPYLPROPIONICACID | Cyclopropaneacetic acid, alpha-amino-alpha-methyl- | J-5077

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Cyclopropylalanine (H-DL-aMeGly(cPr)-OH) | alpha-Amino-alpha-methylcyclopropaneacetic acid | MS-1645 | NSC39061 | NSC-39061 | MFCD00039430 | AKOS000194768 | 2-AMINO-2-CYCLOPROPYLPROPIONICACID | Cyclopropaneacetic acid, alpha-amino-alpha-methyl- | J-5077

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

504758024

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758024

Canonical Smiles

CC(C1CC1)(C(=O)O)N

IUPAC Name

2-amino-2-cyclopropylpropanoic acid

InChIKey

VRFYYCFVOBCXDL-UHFFFAOYSA-N

INCHI

1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9)

Isomeric SMILES

CC(C1CC1)(C(=O)O)N

WGK Germany

3

Molecular Weight

129.16

Reaxy-Rn

2802406

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802406&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 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 129.160 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 142.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5687-72-9, the molecular formula is C6H11NO2, and the molecular weight is 129.16 g/mol. InChIKey VRFYYCFVOBCXDL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.