Cas no 14036-85-2 (4-Imidazolidinebutanoicacid, 5-methyl-2-oxo- (9CI))
14036-85-2 structure
Product Name:4-Imidazolidinebutanoicacid, 5-methyl-2-oxo- (9CI)
CAS No:14036-85-2
MF:C8H14N2O3
MW:186.208362102509
CID:222155
PubChem ID:57357496
Update Time:2025-04-19
4-Imidazolidinebutanoicacid, 5-methyl-2-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Imidazolidinebutanoicacid, 5-methyl-2-oxo- (9CI)
- 4-(5-methyl-2-oxoimidazolidin-4-yl)butanoic acid
- 4-Imidazolidinebutyricacid, 5-methyl-2-oxo- (8CI)
- BS factor
- 21561-97-7
- 14036-85-2
- DTXSID70723698
- 4-Imidazolidinebutanoic acid, 5-methyl-2-oxo- (VAN)
- Bisnordethiobiotin
-
- Inchi： 1S/C8H14N2O3/c1-5-6(10-8(13)9-5)3-2-4-7(11)12/h5-6H,2-4H2,1H3,(H,11,12)(H2,9,10,13)
- InChI Key： PBRLRKDRWNHYMD-UHFFFAOYSA-N
- SMILES： O=C1NC(C)C(CCCC(=O)O)N1
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 186.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 52.54
4-Imidazolidinebutanoicacid, 5-methyl-2-oxo- (9CI) Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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