3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid

C15H25NO2 — CID 82499365

IUPAC3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid
SMILESCc1cc(C(CC(=O)O)C(C)C)c(C)n1C(C)C
InChIInChI=1S/C15H25NO2/c1-9(2)13(8-15(17)18)14-7-11(5)16(10(3)4)12(14)6/h7,9-10,13H,8H2,1-6H3,(H,17,18)
InChIKeyHFDYBCVJRBYZSY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.90
Rot. Bonds5

About 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid

3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid (PubChem CID 82499365) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid
PubChem CID82499365
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid
SMILESCc1cc(C(CC(=O)O)C(C)C)c(C)n1C(C)C
InChIInChI=1S/C15H25NO2/c1-9(2)13(8-15(17)18)14-7-11(5)16(10(3)4)12(14)6/h7,9-10,13H,8H2,1-6H3,(H,17,18)
InChIKeyHFDYBCVJRBYZSY-UHFFFAOYSA-N
XLogP3.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid?
The IUPAC name of 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid (CID 82499365) is 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid?
The canonical SMILES for 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid is Cc1cc(C(CC(=O)O)C(C)C)c(C)n1C(C)C.
What is the InChIKey of 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid?
The InChIKey is HFDYBCVJRBYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-9(2)13(8-15(17)18)14-7-11(5)16(10(3)4)12(14)6/h7,9-10,13H,8H2,1-6H3,(H,17,18).
What are the key properties of 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid?
3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid has a molecular weight of 251.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid is sourced from PubChem (CID 82499365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).