2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate

C9H16N2O4 — CID 9319831

IUPAC2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
SMILESCOCCOC(=O)C[C@@H]1NCCNC1=O
InChIInChI=1S/C9H16N2O4/c1-14-4-5-15-8(12)6-7-9(13)11-3-2-10-7/h7,10H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyUQHWDKLFNYFSLN-ZETCQYMHSA-N
MW216.24 g/mol
LogP-1.35
Rot. Bonds5

About 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate

2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate (PubChem CID 9319831) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
PubChem CID9319831
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
SMILESCOCCOC(=O)C[C@@H]1NCCNC1=O
InChIInChI=1S/C9H16N2O4/c1-14-4-5-15-8(12)6-7-9(13)11-3-2-10-7/h7,10H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyUQHWDKLFNYFSLN-ZETCQYMHSA-N
XLogP-1.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate (CID 9319831) is 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate is COCCOC(=O)C[C@@H]1NCCNC1=O.
What is the InChIKey of 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate?
The InChIKey is UQHWDKLFNYFSLN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-14-4-5-15-8(12)6-7-9(13)11-3-2-10-7/h7,10H,2-6H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate?
2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate has a molecular weight of 216.24 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[(2S)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 9319831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).