Cas no 92058-10-1 (3-Azabicyclo[3.1.0]hexane-1-carboxylicacid, 5-(aminocarbonyl)-3,6,6-trimethyl-2,4-dioxo-, methyl ester)
![3-Azabicyclo[3.1.0]hexane-1-carboxylicacid, 5-(aminocarbonyl)-3,6,6-trimethyl-2,4-dioxo-, methyl ester structure](https://ossimg.kuujia.com/scimg/92500/92058-10-1x500.png)
92058-10-1 structure
Product Name:3-Azabicyclo[3.1.0]hexane-1-carboxylicacid, 5-(aminocarbonyl)-3,6,6-trimethyl-2,4-dioxo-, methyl ester
CAS No:92058-10-1
MF:C11H14N2O5
MW:254.239263057709
CID:819629
PubChem ID:263791
Update Time:2025-04-19
3-Azabicyclo[3.1.0]hexane-1-carboxylicacid, 5-(aminocarbonyl)-3,6,6-trimethyl-2,4-dioxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Azabicyclo[3.1.0]hexane-1-carboxylicacid, 5-(aminocarbonyl)-3,6,6-trimethyl-2,4-dioxo-, methyl ester
- NSC98465
- NSC-98465
- 92058-10-1
- methyl 5-carbamoyl-3,6,6-trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate
- DTXSID50294871
-
- Inchi： 1S/C11H14N2O5/c1-9(2)10(5(12)14)6(15)13(3)7(16)11(9,10)8(17)18-4/h1-4H3,(H2,12,14)
- InChI Key： TUDQNUILVGLSOH-UHFFFAOYSA-N
- SMILES： O=C1C2(C(N)=O)C(C(=O)OC)(C(N1C)=O)C2(C)C
Computed Properties
- Exact Mass: 254.09027155g/mol
- Monoisotopic Mass: 254.09027155g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 512
- 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: -0.4
- Topological Polar Surface Area: 107?2
3-Azabicyclo[3.1.0]hexane-1-carboxylicacid, 5-(aminocarbonyl)-3,6,6-trimethyl-2,4-dioxo-, methyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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