3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid

C15H20N2O3 — CID 64565466

IUPAC3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid
SMILESCC1(C)C(=O)NCCN1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-15(2)14(20)16-8-9-17(15)10-12(13(18)19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyCKGPOIXLKVMMPT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds4

About 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid

3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid (PubChem CID 64565466) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid
PubChem CID64565466
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid
SMILESCC1(C)C(=O)NCCN1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-15(2)14(20)16-8-9-17(15)10-12(13(18)19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyCKGPOIXLKVMMPT-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid?
The IUPAC name of 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid (CID 64565466) is 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid is CC1(C)C(=O)NCCN1CC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid?
The InChIKey is CKGPOIXLKVMMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)14(20)16-8-9-17(15)10-12(13(18)19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid?
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 64565466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).