(S)-3-(Cbz-amino)-2-piperidone - CAS 95582-17-5
Catalog: |
BB041762 |
Product Name: |
(S)-3-(Cbz-amino)-2-piperidone |
CAS: |
95582-17-5 |
Synonyms: |
N-[(3S)-2-oxo-3-piperidinyl]carbamic acid (phenylmethyl) ester; benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate |
IUPAC Name: | benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate |
Description: | (S)-3-(Cbz-amino)-2-piperidone (CAS# 95582-17-5) is a useful research chemical. |
Molecular Weight: | 248.28 |
Molecular Formula: | C13H16N2O3 |
Canonical SMILES: | C1CC(C(=O)NC1)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H16N2O3/c16-12-11(7-4-8-14-12)15-13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)(H,15,17)/t11-/m0/s1 |
InChI Key: | KVHNKJHAXXEKFU-NSHDSACASA-N |
Boiling Point: | 502.5 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD08166408 |
LogP: | 1.91110 |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2005096309-A1 | Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors | 20030930 |
US-2007099922-A1 | Sulfonylaminovalerolactams and derivatives thereof as factor xa inhibitors | 20030930 |
US-7169795-B2 | Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors | 20030930 |
US-7312218-B2 | Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors | 20030930 |
JP-2011037874-A | Prolyl oligopeptidase inhibitor | 20030924 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.11609238 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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