(2E,4S)-4-Amino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester - CAS 328086-61-9
Catalog: |
BB061459 |
Product Name: |
(2E,4S)-4-Amino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester |
CAS: |
328086-61-9 |
Synonyms: |
(2E,4S)-4-Amino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester; Ethyl (E,4S)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate; (S,E)-Ethyl 4-amino-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate; (4S)-4-Amino-5-[(3S)-2-oxopyrrolidine-3alpha-yl]-2-pentenoic acid ethyl ester |
IUPAC Name: | ethyl (E,4S)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
Molecular Weight: | 226.27 |
Molecular Formula: | C11H18N2O3 |
Canonical SMILES: | CCOC(=O)C=CC(CC1CCNC1=O)N |
InChI: | InChI=1S/C11H18N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h3-4,8-9H,2,5-7,12H2,1H3,(H,13,15)/b4-3+/t8-,9+/m0/s1 |
InChI Key: | NLFHTKSVKMJEGA-DXMIZCBPSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 226.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.13174244 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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