(3S)-2-(1,1-Dimethylethyl) Ester 2-Azaspiro[4.4]nonane-2,3-dicarboxylic Acid - CAS 1608495-27-7
Catalog: |
BB068391 |
Product Name: |
(3S)-2-(1,1-Dimethylethyl) Ester 2-Azaspiro[4.4]nonane-2,3-dicarboxylic Acid |
CAS: |
1608495-27-7 |
Synonyms: |
2-[(TERT-BUTOXY)CARBONYL]-2-AZASPIRO[4.4]NONANE-3-CARBOXYLIC ACID; 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-3-carboxylic acid |
IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-3-carboxylic acid |
Description: | (3S)-2-(1,1-Dimethylethyl) Ester 2-Azaspiro[4.4]nonane-2,3-dicarboxylic Acid is a deformylase inhibitor. |
Molecular Weight: | 269.34 |
Molecular Formula: | C14H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2(CCCC2)CC1C(=O)O |
InChI: | InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-14(6-4-5-7-14)8-10(15)11(16)17/h10H,4-9H2,1-3H3,(H,16,17) |
InChI Key: | FWOIYCWMKBOPEY-UHFFFAOYSA-N |
References: | Hu, Wenhao et al., Faming Zhuanli Shenqing(2017). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.16270821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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