200,000+ products from a single source!
sales@angenechem.com
1219125-39-9 | 5-Isoxazolepropanoic acid, 3-[(2R)-1-acetyl-2-pyrrolidinyl]-α-amino-, methyl ester
CAS No: 1219125-39-9 Catalog No: AG0016EJ MDL No:
Product Description
Catalog Number:
AG0016EJ
Chemical Name:
5-Isoxazolepropanoic acid, 3-[(2R)-1-acetyl-2-pyrrolidinyl]-α-amino-, methyl ester
CAS Number:
1219125-39-9
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
IUPAC Name:
methyl 3-[3-[(2R)-1-acetylpyrrolidin-2-yl]-1,2-oxazol-5-yl]-2-aminopropanoate
InChI:
InChI=1S/C13H19N3O4/c1-8(17)16-5-3-4-12(16)11-7-9(20-15-11)6-10(14)13(18)19-2/h7,10,12H,3-6,14H2,1-2H3/t10?,12-/m1/s1
InChI Key:
QXCMWXOKADMCSS-TVKKRMFBSA-N
SMILES:
COC(=O)C(Cc1onc(c1)[C@H]1CCCN1C(=O)C)N
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.