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| CAS No.: | 852329-66-9 |
|---|---|
| Name: | Dutogliptin |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H20BN3O3 |
| Molecular Weight: | 241.098 |
| Synonyms: | [1-[2-(Pyrrolidin-3-ylamino)acetyl]pyrrolidin-2-yl]boronic Acid; |
| Density: | 1.24±0.1 g/cm3(Predicted) |
| Boiling Point: | 494.6±55.0 °C(Predicted) |
| PSA: | 84.83000 |
| LogP: | -0.98160 |
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- Total:20 Page 1 of 1 1
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Specification
The Dutogliptin, with the CAS registry number 852329-66-9, is also known as [1-[2-(Pyrrolidin-3-ylamino)acetyl]pyrrolidin-2-yl]boronic acid. This chemical's molecular formula is C10H20BN3O3 and molecular weight is 241.0951. What's more, its IUPAC name is called [(2R)-1-[2-[[(3R)-Pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid. The classification code is Treatment of Type 2 Diabetes.
Properties Computed from Structure about Dutogliptin are: (1) H-Bond Donor: 4; (2) H-Bond Acceptor: 5; (3) Rotatable Bond Count: 4; (4) Exact Mass: 241.159772; (5) MonoIsotopic Mass: 241.159772; (6) Topological Polar Surface Area: 84.8; (7) Heavy Atom Count: 17; (8) Formal Charge: 0; (9) Complexity: 278; (10) Isotope Atom Count: 0; (11) Defined Atom StereoCenter Count: 2; (12) Undefined Atom StereoCenter Count: 0; (13) Defined Bond StereoCenter Count: 0; (14) Undefined Bond StereoCenter Count: 0; (15) Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1) SMILES: B(C1CCCN1C(=O)CNC2CCNC2)(O)O
(2) InChI: InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1
(3) InChIKey: DVJAMEIQRSHVKC-BDAKNGLRSA-N