N-(tert-Butoxycarbonyl)-D-serine β-Lactone - ≥98%(N) , CAS No.126330-77-6

CAS: 126330-77-6 Cat. No.: N405465 Molecular Weight: 187.2

GRADE & PURITY ≥98%(N)

Synonyms

AKOS006325152 | (R)-tert-butyl 2-oxooxetan-3-ylcarbamate | AS-18892 | MFCD11519129 | AC-23831 | Carbamic acid, [(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester | tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate | Boc-D-Serine-beta-Lactone | Carbamic acid, N

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS006325152 | (R)-tert-butyl 2-oxooxetan-3-ylcarbamate | AS-18892 | MFCD11519129 | AC-23831 | Carbamic acid, [(3R)-2-oxo-3-oxetanyl]-, 1, 1-dimethylethyl ester | tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate | Boc-D-Serine-beta-Lactone | Carbamic acid, N

Specifications & Purity

≥98%(N)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(N)

Names and Identifiers

• Pubchem Sid: 488197210
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197210
• Canonical Smiles: CC(C)(C)OC(=O)NC1COC1=O
• IUPAC Name: tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate
• InChIKey: HRJDEHQWXAPGBG-RXMQYKEDSA-N
• INCHI: 1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H]1COC1=O
• Molecular Weight: 187.2
• Reaxy-Rn: 8311074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8311074&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 acid esters

• 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 acid esters
• Alternative Parents: Carbamate esters Beta propiolactones Oxetanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Beta_propiolactone - Carbamic acid ester - Carboxylic acid ester - Lactone - Oxetane - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 119 °C
• Molecular Weight: 187.190 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 187.084 Da
• Monoisotopic Mass: 187.084 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 231.000
• 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