rac-α-N-Boc-Amino-4-pyridineaceic Acid - CAS 369403-56-5
Catalog: |
BB054977 |
Product Name: |
rac-α-N-Boc-Amino-4-pyridineaceic Acid |
CAS: |
369403-56-5 |
Synonyms: |
rac-alpha-N-Boc-Amino-4-pyridineaceic Acid; 2-((tert-Butoxycarbonyl)amino)-2-(pyridin-4-yl)acetic acid; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-4-ylacetic acid; (2r)-2-[(tert-butoxy)carbonylamino]-2-(4-pyridyl)acetic acid; 2-((tert-Butoxycarbonyl)amino)-2-(pyridin-4-yl)aceticacid |
IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-4-ylacetic acid |
Molecular Weight: | 252.27 |
Molecular Formula: | C12H16N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(C1=CC=NC=C1)C(=O)O |
InChI: | InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)8-4-6-13-7-5-8/h4-7,9H,1-3H3,(H,14,17)(H,15,16) |
InChI Key: | MHUNKOGKEZKMBI-UHFFFAOYSA-N |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.111007 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.111007 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 88.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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