5-methyl-6-oxopiperazine-2-carboxylic acid

C6H10N2O3 — CID 59008372

IUPAC5-methyl-6-oxopiperazine-2-carboxylic acid
SMILESCC1NCC(C(=O)O)NC1=O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)8-4(2-7-3)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyRANOIDSFEZWLAX-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.45
Rot. Bonds1

About 5-methyl-6-oxopiperazine-2-carboxylic acid

5-methyl-6-oxopiperazine-2-carboxylic acid (PubChem CID 59008372) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 5-methyl-6-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-oxopiperazine-2-carboxylic acid
PubChem CID59008372
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name5-methyl-6-oxopiperazine-2-carboxylic acid
SMILESCC1NCC(C(=O)O)NC1=O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)8-4(2-7-3)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyRANOIDSFEZWLAX-UHFFFAOYSA-N
XLogP-1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxopiperazine-2-carboxylic acid?
The IUPAC name of 5-methyl-6-oxopiperazine-2-carboxylic acid (CID 59008372) is 5-methyl-6-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-oxopiperazine-2-carboxylic acid is CC1NCC(C(=O)O)NC1=O.
What is the InChIKey of 5-methyl-6-oxopiperazine-2-carboxylic acid?
The InChIKey is RANOIDSFEZWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-5(9)8-4(2-7-3)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 5-methyl-6-oxopiperazine-2-carboxylic acid?
5-methyl-6-oxopiperazine-2-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 59008372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).