Home Carbonyls 2-[1-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperidin-2-yl]acetic acid

2-[1-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperidin-2-yl]acetic acid

CAS No.:
1179760-33-8
Catalog Number:
AG01BVAU
Molecular Formula:
C12H15N3O5
Molecular Weight:
281.2646
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Product Description
Catalog Number:
AG01BVAU
Chemical Name:
2-[1-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperidin-2-yl]acetic acid
CAS Number:
1179760-33-8
Molecular Formula:
C12H15N3O5
Molecular Weight:
281.2646
MDL Number:
MFCD18473518
IUPAC Name:
2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetic acid
InChI:
InChI=1S/C12H15N3O5/c16-9-6-8(13-12(20)14-9)11(19)15-4-2-1-3-7(15)5-10(17)18/h6-7H,1-5H2,(H,17,18)(H2,13,14,16,20)
InChI Key:
CJGQFZBFOULGRX-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.101g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
281.268g/mol
Monoisotopic Mass:
281.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties