Cas no 111276-71-2 ((2S)-2-(decanoylamino)pentanedioic acid)
111276-71-2 structure
Product Name:(2S)-2-(decanoylamino)pentanedioic acid
CAS No:111276-71-2
MF:C15H27NO5
MW:301.378585100174
CID:2606941
PubChem ID:14192068
Update Time:2025-04-21
(2S)-2-(decanoylamino)pentanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2-(decanoylamino)pentanedioic acid
- (S)-2-Decanamidopentanedioic acid
- I6YHE9T07Q
- UNII-I6YHE9T07Q
- DTXCID5072066
- Caproyl glutamic acid
- N-Decanoylglutamic acid
- 111276-71-2
- Q27280513
- N-Decanoyl-l-glutamic acid
- SCHEMBL342881
- L-Glutamic acid, N-(1-oxodecyl)-
- DTXSID10149575
-
- Inchi： 1S/C15H27NO5/c1-2-3-4-5-6-7-8-9-13(17)16-12(15(20)21)10-11-14(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t12-/m0/s1
- InChI Key： OBACDZMAJJOBJC-LBPRGKRZSA-N
- SMILES： O=C(CCCCCCCCC)N[C@H](C(=O)O)CCC(=O)O
Computed Properties
- Exact Mass: 301.18892296Da
- Monoisotopic Mass: 301.18892296Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 104?2
(2S)-2-(decanoylamino)pentanedioic acid Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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