1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid

C9H12N2O4 — CID 107432929

IUPAC1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)C2CC2)C(C(=O)O)CN1
InChIInChI=1S/C9H12N2O4/c12-7-4-11(8(13)5-1-2-5)6(3-10-7)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)
InChIKeyMZLUSYPNFMXJPS-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.19
Rot. Bonds2

About 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid

1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432929) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432929
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)C2CC2)C(C(=O)O)CN1
InChIInChI=1S/C9H12N2O4/c12-7-4-11(8(13)5-1-2-5)6(3-10-7)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)
InChIKeyMZLUSYPNFMXJPS-UHFFFAOYSA-N
XLogP-1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432800
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435082
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
5-oxo-1-(2H-triazole-4-carbonyl)piperazine-2-carboxylic acid
CID 107433380
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438360
1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107437216
1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437605
1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438943
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107432929) is 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)C2CC2)C(C(=O)O)CN1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is MZLUSYPNFMXJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7-4-11(8(13)5-1-2-5)6(3-10-7)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15).
What are the key properties of 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).