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192821-31-1 | 1-Pentanone, 2-amino-1-(1-azetidinyl)-3-methyl-, (2S,3S)-
CAS No: 192821-31-1 Catalog No: AG002GDX MDL No:
Product Description
Catalog Number:
AG002GDX
Chemical Name:
1-Pentanone, 2-amino-1-(1-azetidinyl)-3-methyl-, (2S,3S)-
CAS Number:
192821-31-1
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
IUPAC Name:
(2S,3S)-2-amino-1-(azetidin-1-yl)-3-methylpentan-1-one
InChI:
InChI=1S/C9H18N2O/c1-3-7(2)8(10)9(12)11-5-4-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
InChI Key:
ZAYUDVRLLCITKZ-YUMQZZPRSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N1CCC1)N)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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