Cas no 1240586-77-9 (3-(4-(Tert-butoxycarbonyl)-3-methylpiperazin-1-YL)propanoic acid)
1240586-77-9 structure
Product Name:3-(4-(Tert-butoxycarbonyl)-3-methylpiperazin-1-YL)propanoic acid
CAS No:1240586-77-9
MF:C13H24N2O4
MW:272.340663909912
CID:2760284
PubChem ID:72211500
Update Time:2025-04-21
3-(4-(Tert-butoxycarbonyl)-3-methylpiperazin-1-YL)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (S)-3-(4-(TERT-BUTOXYCARBONYL)-3-METHYLPIPERAZIN-1-YL)PROPANOIC ACID
- 1240586-77-9
- AB62047
- 3-(4-(TERT-BUTOXYCARBONYL)-3-METHYLPIPERAZIN-1-YL)PROPANOIC ACID
- AB62050
- 3-{4-[(tert-butoxy)carbonyl]-3-methylpiperazin-1-yl}propanoic acid
- 1240582-48-2
- 1060813-90-2
- EN300-1071406
- AB62054
- (R)-3-(4-(TERT-BUTOXYCARBONYL)-3-METHYLPIPERAZIN-1-YL)PROPANOIC ACID
- 3-(4-(Tert-butoxycarbonyl)-3-methylpiperazin-1-YL)propanoic acid
-
- Inchi: 1S/C13H24N2O4/c1-10-9-14(6-5-11(16)17)7-8-15(10)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,16,17)
- InChI Key: HDGGNRDBQUUAMZ-UHFFFAOYSA-N
- SMILES: O(C(C)(C)C)C(N1CCN(CCC(=O)O)CC1C)=O
Computed Properties
- Exact Mass: 272.17360725Da
- Monoisotopic Mass: 272.17360725Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 338
- 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: -1.4
- Topological Polar Surface Area: 70.1?2
3-(4-(Tert-butoxycarbonyl)-3-methylpiperazin-1-YL)propanoic acid Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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