Home Carboxys rac-(2R,3S)-4-ethyl-3-(1-methyl-1H-pyrazol-5-yl)-5-oxomorpholine-2-carboxylic acid, trans

rac-(2R,3S)-4-ethyl-3-(1-methyl-1H-pyrazol-5-yl)-5-oxomorpholine-2-carboxylic acid, trans

CAS No.:
2044705-46-4
Catalog Number:
AG01BXXV
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
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Product Description
Catalog Number:
AG01BXXV
Chemical Name:
rac-(2R,3S)-4-ethyl-3-(1-methyl-1H-pyrazol-5-yl)-5-oxomorpholine-2-carboxylic acid, trans
CAS Number:
2044705-46-4
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
MDL Number:
MFCD30488079
IUPAC Name:
(2S,3R)-4-ethyl-3-(2-methylpyrazol-3-yl)-5-oxomorpholine-2-carboxylic acid
InChI:
InChI=1S/C11H15N3O4/c1-3-14-8(15)6-18-10(11(16)17)9(14)7-4-5-12-13(7)2/h4-5,9-10H,3,6H2,1-2H3,(H,16,17)/t9-,10+/m1/s1
InChI Key:
KRLHQJCOCRCHJJ-ZJUUUORDSA-N
SMILES:
CCN1C(=O)CO[C@@H]([C@H]1c1ccnn1C)C(=O)O
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties