1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid

C10H10N2O5 — CID 107433203

IUPAC1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccco2)C(C(=O)O)CN1
InChIInChI=1S/C10H10N2O5/c13-8-5-12(6(4-11-8)10(15)16)9(14)7-2-1-3-17-7/h1-3,6H,4-5H2,(H,11,13)(H,15,16)
InChIKeyTTYHWQUCXXVFBZ-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.70
Rot. Bonds2

About 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107433203) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107433203
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccco2)C(C(=O)O)CN1
InChIInChI=1S/C10H10N2O5/c13-8-5-12(6(4-11-8)10(15)16)9(14)7-2-1-3-17-7/h1-3,6H,4-5H2,(H,11,13)(H,15,16)
InChIKeyTTYHWQUCXXVFBZ-UHFFFAOYSA-N
XLogP-0.70
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2765111
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432918
1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107731478
5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid
CID 107433194
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432832
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433430
5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid
CID 107433154
1-[(2-iodophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437539

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107433203) is 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2ccco2)C(C(=O)O)CN1.
What is the InChIKey of 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is TTYHWQUCXXVFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c13-8-5-12(6(4-11-8)10(15)16)9(14)7-2-1-3-17-7/h1-3,6H,4-5H2,(H,11,13)(H,15,16).
What are the key properties of 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 238.20 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107433203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).