2-(1-(tert-Butoxycarbonyl)-4-methylpiperidin-4-yl)acetic Acid - CAS 872850-31-2
Catalog: |
BB070755 |
Product Name: |
2-(1-(tert-Butoxycarbonyl)-4-methylpiperidin-4-yl)acetic Acid |
CAS: |
872850-31-2 |
Synonyms: |
2-(1-(tert-Butoxycarbonyl)-4-methylpiperidin-4-yl)acetic acid; 1-Boc-4-methyl-4-piperidineacetic acid; 2-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid; [1-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl]acetic acid; 2-[1-[(tert-butoxy)carbonyl]-4-methylpiperidin-4-yl]acetic acid; 2-{1-[(tert-butoxy)carbonyl]-4-methylpiperidin-4-yl}acetic acid |
IUPAC Name: | 2-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid |
Molecular Weight: | 257.33 |
Molecular Formula: | C13H23NO4 |
Canonical SMILES: | CC1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)O |
InChI: | InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-7-5-13(4,6-8-14)9-10(15)16/h5-9H2,1-4H3,(H,15,16) |
InChI Key: | ZPWNCZDQOSXJSA-UHFFFAOYSA-N |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.16270821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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