(S)-1-Cbz-3-pyrrolidinecarbonitrile - CAS 193693-69-5
Catalog: |
BB015010 |
Product Name: |
(S)-1-Cbz-3-pyrrolidinecarbonitrile |
CAS: |
193693-69-5 |
Synonyms: |
(3S)-3-cyano-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3S)-3-cyanopyrrolidine-1-carboxylate |
IUPAC Name: | benzyl (3S)-3-cyanopyrrolidine-1-carboxylate |
Description: | (S)-1-Cbz-3-pyrrolidinecarbonitrile (CAS# 193693-69-5) is a useful research chemical compound. |
Molecular Weight: | 230.26 |
Molecular Formula: | C13H14N2O2 |
Canonical SMILES: | C1CN(CC1C#N)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H14N2O2/c14-8-12-6-7-15(9-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m1/s1 |
InChI Key: | WNULFIVJZGZMEY-GFCCVEGCSA-N |
Density: | 1.2 g/cm3 |
LogP: | 2.10658 |
Publication Number | Title | Priority Date |
EP-2590978-B1 | Carbapenem antibacterials with gram-negative activity | 20100618 |
US-2013172313-A1 | Carbapenem Antibacterials with Gram-Negative Activity | 20100618 |
US-2015306071-A1 | Carbapenem Antibacterials with Gram-Negative Activity | 20100618 |
US-9149461-B2 | Carbapenem antibacterials with gram-negative activity | 20100618 |
WO-2011160020-A2 | Carbapenem antibacterials with gram-negative activity | 20100618 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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