(2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate

C13H20N2O4 — CID 91168756

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate
SMILESCC1CCCC(C)N1CC(=O)On1c(O)ccc1O
InChIInChI=1S/C13H20N2O4/c1-9-4-3-5-10(2)14(9)8-13(18)19-15-11(16)6-7-12(15)17/h6-7,9-10,16-17H,3-5,8H2,1-2H3
InChIKeyPKYGWVWBKGPYJD-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.12
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate

(2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate (PubChem CID 91168756) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate
PubChem CID91168756
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate
SMILESCC1CCCC(C)N1CC(=O)On1c(O)ccc1O
InChIInChI=1S/C13H20N2O4/c1-9-4-3-5-10(2)14(9)8-13(18)19-15-11(16)6-7-12(15)17/h6-7,9-10,16-17H,3-5,8H2,1-2H3
InChIKeyPKYGWVWBKGPYJD-UHFFFAOYSA-N
XLogP1.12
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
(2,5-Dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 123612673
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
(2,5-Dihydroxypyrrol-1-yl) 2-aminoacetate
CID 53728945
Ethyl 2-[2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 53899641
1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 54061423
(2,5-Dihydroxypyrrol-1-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 54227808
(2S)-2-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 54281088
2-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 54281089
1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) piperidine-1,2-dicarboxylate
CID 54282156

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate (CID 91168756) is (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate is CC1CCCC(C)N1CC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate?
The InChIKey is PKYGWVWBKGPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-4-3-5-10(2)14(9)8-13(18)19-15-11(16)6-7-12(15)17/h6-7,9-10,16-17H,3-5,8H2,1-2H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate?
(2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate has a molecular weight of 268.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate is sourced from PubChem (CID 91168756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).