(3R,4R)-rel-1-Benzyl-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic Acid - CAS 895243-39-7
Catalog: |
BB039517 |
Product Name: |
(3R,4R)-rel-1-Benzyl-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic Acid |
CAS: |
895243-39-7 |
Synonyms: |
(3R,4R)-4-ethoxycarbonyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid; (3R,4R)-1-benzyl-4-ethoxycarbonylpyrrolidine-3-carboxylic acid |
IUPAC Name: | (3R,4R)-1-benzyl-4-ethoxycarbonylpyrrolidine-3-carboxylic acid |
Description: | (3R,4R)-rel-1-Benzyl-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic Acid (CAS# 895243-39-7 ) is a useful research chemical. |
Molecular Weight: | 277.32 |
Molecular Formula: | C15H19NO4 |
Canonical SMILES: | CCOC(=O)C1CN(CC1C(=O)O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C15H19NO4/c1-2-20-15(19)13-10-16(9-12(13)14(17)18)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13-/m0/s1 |
InChI Key: | OBPNUEHVTDHIPJ-STQMWFEESA-N |
LogP: | 1.32020 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.13140809 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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