(1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-6-acetic Acid Ethyl Ester - CAS 1251668-97-9
Catalog: |
BB006081 |
Product Name: |
(1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-6-acetic Acid Ethyl Ester |
CAS: |
1251668-97-9 |
Synonyms: |
2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid ethyl ester; ethyl 2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetate |
IUPAC Name: | ethyl 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetate |
Description: | (1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-6-acetic Acid Ethyl Ester (CAS# 1251668-97-9 ) is a useful research chemical. |
Molecular Weight: | 169.22 |
Molecular Formula: | C9H15NO2 |
Canonical SMILES: | CCOC(=O)CC1C2C1CNC2 |
InChI: | InChI=1S/C9H15NO2/c1-2-12-9(11)3-6-7-4-10-5-8(6)7/h6-8,10H,2-5H2,1H3/t6?,7-,8+ |
InChI Key: | GGOXACSGIVGNKF-IEESLHIDSA-N |
LogP: | 0.73380 |
Publication Number | Title | Priority Date |
EP-2417128-B1 | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines as adp receptor antagonists | 20090408 |
KR-101694563-B1 | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines as adp receptor antagonists | 20090408 |
US-2012028989-A1 | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines | 20090408 |
US-8288385-B2 | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines | 20090408 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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