(1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate

C15H23NO4 — CID 91122919

IUPAC(1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
SMILESCCC1(OC(=O)Cn2c(O)c(C)c(C)c2O)CCCC1
InChIInChI=1S/C15H23NO4/c1-4-15(7-5-6-8-15)20-12(17)9-16-13(18)10(2)11(3)14(16)19/h18-19H,4-9H2,1-3H3
InChIKeyJEYALBBDGWAKRU-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.78
Rot. Bonds4

About (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate

(1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate (PubChem CID 91122919) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
PubChem CID91122919
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
SMILESCCC1(OC(=O)Cn2c(O)c(C)c(C)c2O)CCCC1
InChIInChI=1S/C15H23NO4/c1-4-15(7-5-6-8-15)20-12(17)9-16-13(18)10(2)11(3)14(16)19/h18-19H,4-9H2,1-3H3
InChIKeyJEYALBBDGWAKRU-UHFFFAOYSA-N
XLogP2.78
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Adamantyl)propan-2-yl 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
CID 90774921
Methyl 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
CID 90775462
(1-Ethyl-5-methyl-2-propan-2-ylcyclohexyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
CID 90860490
(2-Ethyl-2-adamantyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
CID 90882864
[(2S)-2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)propyl] acetate
CID 91058886
Tert-butyl 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
CID 91096091
Tert-butyl 3-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)propanoate
CID 91131146
Tert-butyl 2-(1,3-dihydroxy-4,7-dihydroisoindol-2-yl)acetate
CID 91439989

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate?
The IUPAC name of (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate (CID 91122919) is (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate?
The canonical SMILES for (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate is CCC1(OC(=O)Cn2c(O)c(C)c(C)c2O)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate?
The InChIKey is JEYALBBDGWAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-15(7-5-6-8-15)20-12(17)9-16-13(18)10(2)11(3)14(16)19/h18-19H,4-9H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate?
(1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate has a molecular weight of 281.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate is sourced from PubChem (CID 91122919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).