diisopropyl 1-(1-acetylpyrrolidin-2-yl)hydrazine-1,2-dicarboxylate

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C14H25N3O5/c1-9(2)21-13(19)15-17(14(20)22-10(3)4)12-7-6-8-16(12)11(5)18/h9-10,12H,6-8H2,1-5H3,(H,15,19), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)NN(C1CCCN1C(=O)C)C(=O)OC(C)C)C, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50534

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

CHMO:0000498 | high-resolution mass spectrometry (HRMS)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

这是一个与分子（molecule）[CHEBI_25367]相关联的物理化学实体（physical chemical entity）[CHEBI_24431]。
该分子[CHEBI_25367]可通过以下结构描述符（structural descriptors）[cheminf_000085]进行表征：
InChI描述符（InChI descriptor）[cheminf_000113]：InChI=1S/C14H25N3O5/c1-9(2)21-13(19)15-17(14(20)22-10(3)4)12-7-6-8-16(12)11(5)18/h9-10,12H,6-8H2,1-5H3,(H,15,19),
规范SMILES描述符（canonical SMILES descriptor）[cheminf_000007]：CC(OC(=O)NN(C1CCCN1C(=O)C)C(=O)OC(C)C)C,
并可通过IUPAC名称（IUPAC name）[cheminf_000107]描述：.

该物理化学实体[CHEBI_24431]包含一种组分溶剂（component solvent）[CHEBI_46787]，其可通过规范SMILES描述符[cheminf_000007]描述：

该物理化学实体[CHEBI_24431]在研究数据仓库（research data repository）Chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID（Sample ID）为：CRS-50534

该物理化学实体[CHEBI_24431]可通过以下物理描述符（physical descriptors）[CHEMINF_000025]进行表征：
熔点描述符（melting point descriptor）[CHEMINF_000256]：
沸点描述符（boiling point descriptor）[CHEMINF_000257]：
折射率描述符（refractive index descriptor）[CHEMINF_000253]：

该物理化学实体[CHEBI_24431]可通过以下实验分析（assays）[OBI:0000070][CHMO:0001133]进一步表征：

CHMO:0000593 | 氢-1核磁共振波谱法（1H nuclear magnetic resonance spectroscopy）（1H NMR）
CHMO:0000595 | 碳-13核磁共振波谱法（13C nuclear magnetic resonance spectroscopy）（13C NMR）
CHMO:0001146 | 氢-1与碳-13异核单量子相干谱（1H--13C heteronuclear single quantum coherence）（1H-13C HSQC）
CHMO:0000498 | 高分辨质谱法（high-resolution mass spectrometry）（HRMS）

该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology，KIT）的分子档案库，对应的样本ID为：

使用的本体（ontologies）：
CHEBI - 生物相关化学实体（Chemical Entities of Biological Interest）
CHEMINF - 化学信息本体（chemical information ontology，即关于化学实体的信息实体）
CHMO - 化学方法本体（Chemical Methods Ontology）
OBI - 生物医学研究本体（Ontology for Biomedical Investigations）