1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid

C14H19N3O3 — CID 114610402

IUPAC1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H19N3O3/c18-13(17-8-6-15-9-12(17)14(19)20)11-5-2-7-16(11)10-3-1-4-10/h2,5,7,10,12,15H,1,3-4,6,8-9H2,(H,19,20)
InChIKeyOLVQLZCNFHATMC-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.71
Rot. Bonds3

About 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid

1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid (PubChem CID 114610402) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
PubChem CID114610402
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H19N3O3/c18-13(17-8-6-15-9-12(17)14(19)20)11-5-2-7-16(11)10-3-1-4-10/h2,5,7,10,12,15H,1,3-4,6,8-9H2,(H,19,20)
InChIKeyOLVQLZCNFHATMC-UHFFFAOYSA-N
XLogP0.71
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid (CID 114610402) is 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid is O=C(O)C1CNCCN1C(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is OLVQLZCNFHATMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(17-8-6-15-9-12(17)14(19)20)11-5-2-7-16(11)10-3-1-4-10/h2,5,7,10,12,15H,1,3-4,6,8-9H2,(H,19,20).
What are the key properties of 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid?
1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 114610402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).