Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in Water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)CC(C(=O)O)NC(=O)CN |
|---|---|
| IUPAC Name | (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoic acid |
| InChIKey | DKEXFJVMVGETOO-LURJTMIESA-N |
| INCHI | 1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)CN |
| Molecular Weight | 188.22 |
| Beilstein | 4453 |
| Reaxy-Rn | 1726293 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726293&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Peptides |
| Alternative Parents | Leucine and derivatives N-acyl-alpha amino acids Methyl-branched fatty acids Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha peptide - Leucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Amino acid or derivatives - Amino acid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary amine - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
| External Descriptors | dipeptide |
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| Specific Rotation[α] | -35 ° (C=2, H2O) |
|---|---|
| Melt Point(°C) | 256°C |
| Molecular Weight | 188.220 g/mol |
| XLogP3 | -2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 188.116 Da |
| Monoisotopic Mass | 188.116 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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 |
| 1. Yong-Yu Qi, Qian Gan, Ya-Xian Liu, Ya-Hong Xiong, Zong-Wan Mao, Xue-Yi Le. (2018) Two new Cu(II) dipeptide complexes based on 5-methyl-2-(2′-pyridyl)benzimidazole as potential antimicrobial and anticancer drugs: Special exploration of their possible anticancer mechanism. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, [PMID:29803995] [10.1016/j.ejmech.2018.05.023] |
| 2. Guangxin Yuan, Yongbo Peng, Zhenghua Liu, Jieya Hong, Yao Xiao, Jialiang Guo, Norman W. Smith, Jacques Crommen, Zhengjin Jiang. (2013) A facile and efficient strategy to enhance hydrophilicity of zwitterionic sulfoalkylbetaine type monoliths. JOURNAL OF CHROMATOGRAPHY A, [PMID:23796416] [10.1016/j.chroma.2013.05.063] |
| 3. Xueyan Zhu, Xianglong Zhao, Zhongkang Wang, Xiaoyuan Xie, Jincai Wang, Jianlong Liang, Zheng Liu, Tao Deng, Bin Yang, Jialiang Guo. (2025) Preparation of a Biomimetic Poly-Phosphatidylserine Monolithic Column for Immobilized Artificial Membrane Chromatography. JOURNAL OF SEPARATION SCIENCE, 48 (3): (e70120). [PMID:40114441] [10.1002/jssc.70120] |