Methyl (±)-Pyrrolidine-2-acetate - CAS 111704-98-4
Catalog: |
BB059187 |
Product Name: |
Methyl (±)-Pyrrolidine-2-acetate |
CAS: |
111704-98-4 |
Synonyms: |
Methyl Ester 2-Pyrrolidineacetic Acid |
IUPAC Name: | methyl 2-pyrrolidin-2-ylacetate |
Description: | Methyl (±)-Pyrrolidine-2-acetate is usedful for asymmetric synthesis of β-amino acids. |
Molecular Weight: | 143.18 |
Molecular Formula: | C7H13NO2 |
Canonical SMILES: | COC(=O)CC1CCCN1 |
InChI: | InChI=1S/C7H13NO2/c1-10-7(9)5-6-3-2-4-8-6/h6,8H,2-5H2,1H3 |
InChI Key: | QVQOWGPBRKRAOW-UHFFFAOYSA-N |
References: | Kawakami, T., et al. Bullet. Chem. Soc. Japan, 73, 2423 (2000). |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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