3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid

C7H10N2O5 — CID 22727216

IUPAC3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid
SMILESCOC(=O)C1CN(C(=O)O)CC(=O)N1
InChIInChI=1S/C7H10N2O5/c1-14-6(11)4-2-9(7(12)13)3-5(10)8-4/h4H,2-3H2,1H3,(H,8,10)(H,12,13)
InChIKeyCSJSNUVOHDGPSY-UHFFFAOYSA-N
MW202.17 g/mol
LogP-1.36
Rot. Bonds1

About 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid

3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid (PubChem CID 22727216) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid
PubChem CID22727216
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid
SMILESCOC(=O)C1CN(C(=O)O)CC(=O)N1
InChIInChI=1S/C7H10N2O5/c1-14-6(11)4-2-9(7(12)13)3-5(10)8-4/h4H,2-3H2,1H3,(H,8,10)(H,12,13)
InChIKeyCSJSNUVOHDGPSY-UHFFFAOYSA-N
XLogP-1.36
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid (CID 22727216) is 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid is COC(=O)C1CN(C(=O)O)CC(=O)N1.
What is the InChIKey of 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid?
The InChIKey is CSJSNUVOHDGPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-14-6(11)4-2-9(7(12)13)3-5(10)8-4/h4H,2-3H2,1H3,(H,8,10)(H,12,13).
What are the key properties of 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid?
3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid has a molecular weight of 202.17 g/mol, XLogP of -1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 22727216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).