Text Search
Structure Search

3-[4-(pyrimidin-2-yl)piperazin-1-yl]propanoic acid

3-[4-(pyrimidin-2-yl)piperazin-1-yl]propanoic acid

Formula: C11H16N4O2

SMILES: OC(=O)CCN1CCN(CC1)C1=NC=CC=N1

IUPAC: 3-[4-(pyrimidin-2-yl)piperazin-1-yl]propanoic acid

InChI: InChI=1S/C11H16N4O2/c16-10(17)2-5-14-6-8-15(9-7-14)11-12-3-1-4-13-11/h1,3-4H,2,5-9H2,(H,16,17)

Composition: C (55.92%), H (6.83%), N (23.71%), O (13.54%)

Molar Mass: 236.275

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.127325771
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey YITKIMIVXHDPLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.93
Topological Polar Surface Area 69.56
Polarizability 23.92
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H16N4O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote