5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid

C10H12N2O4 — CID 102688675

IUPAC5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nn2cccc2)O1
InChIInChI=1S/C10H12N2O4/c13-9(11-12-5-1-2-6-12)7-3-4-8(16-7)10(14)15/h1-2,5-8H,3-4H2,(H,11,13)(H,14,15)
InChIKeyVFBIURXIVQTVPQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.19
Rot. Bonds3

About 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid

5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102688675) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102688675
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nn2cccc2)O1
InChIInChI=1S/C10H12N2O4/c13-9(11-12-5-1-2-6-12)7-3-4-8(16-7)10(14)15/h1-2,5-8H,3-4H2,(H,11,13)(H,14,15)
InChIKeyVFBIURXIVQTVPQ-UHFFFAOYSA-N
XLogP0.19
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945598
3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550896
5-(2-pyrazol-1-ylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688336
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798
(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
CID 97358936
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
(2R,5S)-5-[(1-methylpyrrol-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106414767
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688444

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102688675) is 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)Nn2cccc2)O1.
What is the InChIKey of 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is VFBIURXIVQTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(11-12-5-1-2-6-12)7-3-4-8(16-7)10(14)15/h1-2,5-8H,3-4H2,(H,11,13)(H,14,15).
What are the key properties of 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid?
5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).