3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid

C11H15NO2 — CID 82281635

IUPAC3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid
SMILESO=C(O)CC(c1cc[nH]c1)C1CCC1
InChIInChI=1S/C11H15NO2/c13-11(14)6-10(8-2-1-3-8)9-4-5-12-7-9/h4-5,7-8,10,12H,1-3,6H2,(H,13,14)
InChIKeyHGZSIWVVXSBEAD-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.37
Rot. Bonds4

About 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid

3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid (PubChem CID 82281635) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid
PubChem CID82281635
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid
SMILESO=C(O)CC(c1cc[nH]c1)C1CCC1
InChIInChI=1S/C11H15NO2/c13-11(14)6-10(8-2-1-3-8)9-4-5-12-7-9/h4-5,7-8,10,12H,1-3,6H2,(H,13,14)
InChIKeyHGZSIWVVXSBEAD-UHFFFAOYSA-N
XLogP2.37
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid?
The IUPAC name of 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid (CID 82281635) is 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid.
What is the SMILES notation for 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid?
The canonical SMILES for 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid is O=C(O)CC(c1cc[nH]c1)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid?
The InChIKey is HGZSIWVVXSBEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(14)6-10(8-2-1-3-8)9-4-5-12-7-9/h4-5,7-8,10,12H,1-3,6H2,(H,13,14).
What are the key properties of 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid?
3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-(1H-pyrrol-3-yl)propanoic acid is sourced from PubChem (CID 82281635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).