N-Boc-3-methylmorpholine-3-carboxylic Acid - CAS 1052680-53-1
Catalog: |
BB001592 |
Product Name: |
N-Boc-3-methylmorpholine-3-carboxylic Acid |
CAS: |
1052680-53-1 |
Synonyms: |
3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-morpholinecarboxylic acid; 3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid |
IUPAC Name: | 3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid |
Description: | N-Boc-3-methylmorpholine-3-carboxylic Acid (CAS# 1052680-53-1) is a useful research chemical. |
Molecular Weight: | 245.27 |
Molecular Formula: | C11H19NO5 |
Canonical SMILES: | CC1(COCCN1C(=O)OC(C)(C)C)C(=O)O |
InChI: | InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-6-16-7-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14) |
InChI Key: | OWKAFGALKWOGOO-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 1.03490 |
Publication Number | Title | Priority Date |
AU-2013311705-A1 | 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of Hepatitis B virus infection | 20120910 |
EP-2892893-B1 | 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis b virus infection | 20120910 |
EP-2892893-B2 | 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis b virus infection | 20120910 |
ES-2617906-T3 | 6-Amino acid heteroaryl dihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection | 20120910 |
JP-2015527382-A | 6-amino acid heteroaryl dihydropyrimidines for the treatment and prevention of hepatitis B virus infection | 20120910 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.12632271 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.12632271 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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