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

C14H18N2O3 — CID 63606639

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
SMILESCC1(C)C(=O)NCCN1C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(19)15-8-9-16(14)11(12(17)18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNFPANJSZSVOPFU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.02
Rot. Bonds3

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

2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid (PubChem CID 63606639) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
PubChem CID63606639
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
SMILESCC1(C)C(=O)NCCN1C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(19)15-8-9-16(14)11(12(17)18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNFPANJSZSVOPFU-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid (CID 63606639) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid is CC1(C)C(=O)NCCN1C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid?
The InChIKey is NFPANJSZSVOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2)13(19)15-8-9-16(14)11(12(17)18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 63606639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).