Cas no 100828-25-9 (1-Piperazinepropanoic acid, 3-carboxy-)
100828-25-9 structure
Product Name:1-Piperazinepropanoic acid, 3-carboxy-
CAS No:100828-25-9
MF:C8H14N2O4
MW:202.207762241364
CID:3551434
PubChem ID:13491865
Update Time:2025-04-22
1-Piperazinepropanoic acid, 3-carboxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinepropanoic acid, 3-carboxy-
- 3-Carboxy-1-piperazinepropanoic acid
- DTXSID501291188
- 100828-25-9
-
- Inchi： 1S/C8H14N2O4/c11-7(12)1-3-10-4-2-9-6(5-10)8(13)14/h6,9H,1-5H2,(H,11,12)(H,13,14)
- InChI Key： ZUMKVOLBTJJFIO-UHFFFAOYSA-N
- SMILES： N1(CCC(O)=O)CCNC(C(O)=O)C1
Computed Properties
- Exact Mass: 202.09535693Da
- Monoisotopic Mass: 202.09535693Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5.8
- Topological Polar Surface Area: 89.9?2
1-Piperazinepropanoic acid, 3-carboxy- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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