methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate

C9H14N2O4 — CID 946789

IUPACmethyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1C(=O)NCCN1C(C)=O
InChIInChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKeyXXDJRDKSNTXOKT-ZETCQYMHSA-N
MW214.22 g/mol
LogP-1.10
Rot. Bonds2

About methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate

methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate (PubChem CID 946789) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate
PubChem CID946789
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1C(=O)NCCN1C(C)=O
InChIInChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKeyXXDJRDKSNTXOKT-ZETCQYMHSA-N
XLogP-1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate (CID 946789) is methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate is COC(=O)C[C@H]1C(=O)NCCN1C(C)=O.
What is the InChIKey of methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate?
The InChIKey is XXDJRDKSNTXOKT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1.
What are the key properties of methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate has a molecular weight of 214.22 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-1-acetyl-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 946789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).