ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate

C12H20N2O5 — CID 54387922

IUPACethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN[C@@H](CC(=O)OC)C1=O
InChIInChI=1S/C12H20N2O5/c1-3-19-10(15)4-6-14-7-5-13-9(12(14)17)8-11(16)18-2/h9,13H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyVEOSBBXTHYTVJB-VIFPVBQESA-N
MW272.30 g/mol
LogP-0.70
Rot. Bonds6

About ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate

ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate (PubChem CID 54387922) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate
PubChem CID54387922
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nameethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN[C@@H](CC(=O)OC)C1=O
InChIInChI=1S/C12H20N2O5/c1-3-19-10(15)4-6-14-7-5-13-9(12(14)17)8-11(16)18-2/h9,13H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyVEOSBBXTHYTVJB-VIFPVBQESA-N
XLogP-0.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate?
The IUPAC name of ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate (CID 54387922) is ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate is CCOC(=O)CCN1CCN[C@@H](CC(=O)OC)C1=O.
What is the InChIKey of ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate?
The InChIKey is VEOSBBXTHYTVJB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-19-10(15)4-6-14-7-5-13-9(12(14)17)8-11(16)18-2/h9,13H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate?
ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate has a molecular weight of 272.30 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3S)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]propanoate is sourced from PubChem (CID 54387922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).