2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid

C14H27NO2 — CID 114991380

IUPAC2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)N1CCCC1CC
InChIInChI=1S/C14H27NO2/c1-4-9-14(10-5-2,13(16)17)15-11-7-8-12(15)6-3/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyOOBQYTAKCCXZRI-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid

2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid (PubChem CID 114991380) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid
PubChem CID114991380
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)N1CCCC1CC
InChIInChI=1S/C14H27NO2/c1-4-9-14(10-5-2,13(16)17)15-11-7-8-12(15)6-3/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyOOBQYTAKCCXZRI-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid
CID 114998303
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 76924786
2-(1,4-oxazepan-4-yl)-2-propylpentanoic acid
CID 114994067
2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 61409614
2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199688
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid
CID 104691575
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
3-[(2-ethylazepane-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113441841

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid (CID 114991380) is 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid is CCCC(CCC)(C(=O)O)N1CCCC1CC.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid?
The InChIKey is OOBQYTAKCCXZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-14(10-5-2,13(16)17)15-11-7-8-12(15)6-3/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid?
2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid is sourced from PubChem (CID 114991380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).