N-(tert-Butoxycarbonyl)-L-serine - ≥98%, up to 10% water , CAS No.3262-72-4

CAS: 3262-72-4 Cat. No.: B406518 Molecular Weight: 205.21 Beilstein Registry Number: 2212252 EC Number: 221-867-3

GRADE & PURITY ≥98%, up to 10% water

Synonyms

Boc-Ser-OH | (S)-N-(1,1-dimethylethoxy)carbonylserine | N-Boc-L-serine | SCHEMBL315980 | (2S)-2-(tert-Butoxycarbonylamino)-3-hydroxypropanoic acid | (2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]p

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Boc-Ser-OH | (S)-N-(1, 1-dimethylethoxy)carbonylserine | N-Boc-L-serine | SCHEMBL315980 | (2S)-2-(tert-Butoxycarbonylamino)-3-hydroxypropanoic acid | (2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2, 2, 2-trifluoroethoxy]p

Specifications & Purity

≥98%, up to 10% water

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756418
• Canonical Smiles: CC(C)(C)OC(=O)NC(CO)C(=O)O
• IUPAC Name: (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: FHOAKXBXYSJBGX-YFKPBYRVSA-N
• INCHI: 1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O
• WGK Germany: 3
• Molecular Weight: 205.21
• Beilstein: 2212252
• Reaxy-Rn: 2212251
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212251&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 Serine 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: Serine and derivatives
• Alternative Parents: Beta hydroxy acids and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Serine or derivatives - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as serine and derivatives. These are compounds containing serine or a derivative thereof resulting from reaction of serine 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

Associated Targets(non-human)

Rattus norvegicus (775804 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

• Specific Rotation[α]: -4 ° (C=1, AcOH)
• Melt Point(°C): 85-95°C
• Molecular Weight: 205.210 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 205.095 Da
• Monoisotopic Mass: 205.095 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 220.000
• 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

References

1. Qin-Fang Zhang, Chao-Ran Luan, Dong-Xiao Yin, Ji Zhang, Yan-Hong Liu, Qi Peng, Yong Xu, Xiao-Qi Yu.  (2015)  Amino Acid-Modified Polyethylenimines with Enhanced Gene Delivery Efficiency and Biocompatibility.  Polymers,  7  (11): (2316-2331).  [PMID:] [10.3390/polym7111516]

2. Ye He, Xingxian Wu, Guanglin Zhang, Xingwen Huang, Wenrui Zhang, Mei Tu, Rong Zeng.  (2020)  A zwitterionic serine modified chitosan derivative for improving protein stability and activity.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:32941909] [10.1016/j.ijbiomac.2020.09.066]