methyl 5-oxopiperazine-2-carboxylate

C6H10N2O3 — CID 75040877

IUPACmethyl 5-oxopiperazine-2-carboxylate
SMILESCOC(=O)C1CNC(=O)CN1
InChIInChI=1S/C6H10N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyKLAVLUWNPFSXTG-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.75
Rot. Bonds1

About methyl 5-oxopiperazine-2-carboxylate

methyl 5-oxopiperazine-2-carboxylate (PubChem CID 75040877) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is methyl 5-oxopiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxopiperazine-2-carboxylate
PubChem CID75040877
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Namemethyl 5-oxopiperazine-2-carboxylate
SMILESCOC(=O)C1CNC(=O)CN1
InChIInChI=1S/C6H10N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyKLAVLUWNPFSXTG-UHFFFAOYSA-N
XLogP-1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
{[(2S)-2-ammoniopropanoyl]amino}acetate
CID 6998028
Ala-Ala zwitterion
CID 6992372
CID 5242513
CID 5242513
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
CID 2756819
Methyl Piperazine-2-carboxylate Dihydrochloride
CID 2760425
5-Oxopiperazine-2-carboxylic acid
CID 21304731
N-Acetyl-ala-ala-ala-methylester
CID 5462473
CID 6992370
CID 6992370
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate
CID 1501855
1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
CID 2756818

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxopiperazine-2-carboxylate?
The IUPAC name of methyl 5-oxopiperazine-2-carboxylate (CID 75040877) is methyl 5-oxopiperazine-2-carboxylate.
What is the SMILES notation for methyl 5-oxopiperazine-2-carboxylate?
The canonical SMILES for methyl 5-oxopiperazine-2-carboxylate is COC(=O)C1CNC(=O)CN1.
What is the InChIKey of methyl 5-oxopiperazine-2-carboxylate?
The InChIKey is KLAVLUWNPFSXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h4,7H,2-3H2,1H3,(H,8,9).
What are the key properties of methyl 5-oxopiperazine-2-carboxylate?
methyl 5-oxopiperazine-2-carboxylate has a molecular weight of 158.16 g/mol, XLogP of -1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxopiperazine-2-carboxylate is sourced from PubChem (CID 75040877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).