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177931-21-4 | 1-Pentanone, 2-amino-3-methyl-1-(1-pyrrolidinyl)-, (2S,3R)-
CAS No: 177931-21-4 Catalog No: AG0025M8 MDL No:
Product Description
Catalog Number:
AG0025M8
Chemical Name:
1-Pentanone, 2-amino-3-methyl-1-(1-pyrrolidinyl)-, (2S,3R)-
CAS Number:
177931-21-4
Molecular Formula:
C10H20N2O
Molecular Weight:
184.2786
IUPAC Name:
(2S,3R)-2-amino-3-methyl-1-pyrrolidin-1-ylpentan-1-one
InChI:
InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1
InChI Key:
IMCMJLZQYAUSFW-BDAKNGLRSA-N
SMILES:
CC[C@H]([C@@H](C(=O)N1CCCC1)N)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.158g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.283g/mol
Monoisotopic Mass:
184.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 1: identification of dipeptide derived leads. | Bioorganic & medicinal chemistry letters 20080715 |
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