GRADE & PURITY ≥95%

Synonyms

D90634 | For-Val-OH, AldrichCPR | (2S)-2-(formylamino)-3-methylbutanoic acid | 2-formamido-3-methyl-butanoic acid | N-Formyl-L-valine | AKOS015924217 | EN300-321251 | HY-W142131 | N-formyl-l-val | Fromyl-L-Valine | F0129 | Q27460455 | (S)-2-formamido-3-me

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

D90634 | For-Val-OH, AldrichCPR | (2S)-2-(formylamino)-3-methylbutanoic acid | 2-formamido-3-methyl-butanoic acid | N-Formyl-L-valine | AKOS015924217 | EN300-321251 | HY-W142131 | N-formyl-l-val | Fromyl-L-Valine | F0129 | Q27460455 | (S)-2-formamido-3-me

Specifications & Purity

≥95%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488195906
• Canonical Smiles: CC(C)C(C(=O)O)NC=O
• IUPAC Name: (2S)-2-formamido-3-methylbutanoic acid
• InChIKey: QBYYLBWFBPAOKU-YFKPBYRVSA-N
• INCHI: 1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)O)NC=O
• Molecular Weight: 145.16
• Reaxy-Rn: 1722891
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722891&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 Valine 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 - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: N-acyl-L-alpha-amino acids N-formyl-alpha amino acids Methyl-branched fatty acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Valine or derivatives - N-acyl-l-alpha-amino acid - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Solubility: Soluble in ethanol
• Freezing Point(°C): 12° (C=4,EtOH)
• Specific Rotation[α]: 12° (C=4,EtOH)
• Melt Point(°C): 153°C
• Molecular Weight: 145.160 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.074 Da
• Monoisotopic Mass: 145.074 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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