(1S,3S)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid - ≥95% , CAS No.161601-29-2

CAS: 161601-29-2 Cat. No.: S587501 Molecular Weight: 229.28 EC Number: 692-712-9 PubChem CID: 1512528

GRADE & PURITY ≥95%

Synonyms

(1S,3S)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylicacid | (1S,3S)-3-((tert-butoxycarbonyl)amino)cyclopentane-1-carboxylic acid | (1S,3S)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid | (1S,2S)-2-(Boc-amino)cyclopentane-1-carboxylic ac

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

(1S, 3S)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylicacid | (1S, 3S)-3-((tert-butoxycarbonyl)amino)cyclopentane-1-carboxylic acid | (1S, 3S)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid | (1S, 2S)-2-(Boc-amino)cyclopentane-1-carboxylic ac

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504760540
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760540
• Canonical Smiles: CC(C)(C)OC(=O)NC1CCC(C1)C(=O)O
• IUPAC Name: (1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
• InChIKey: RNJQBGXOSAQQDG-YUMQZZPRSA-N
• INCHI: 1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)C(=O)O
• Alternate CAS: 161601-29-2
• PubChem CID: 1512528
• Molecular Weight: 229.28

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 Gamma 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: Gamma amino acids and derivatives
• Alternative Parents: 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: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 229.270 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 229.131 Da
• Monoisotopic Mass: 229.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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