(2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate

C11H16N2O4 — CID 90991369

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O4/c14-9-4-5-10(15)13(9)17-11(16)8-12-6-2-1-3-7-12/h4-5,14-15H,1-3,6-8H2
InChIKeyKYAZODHMZZGLAN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.34
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate

(2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate (PubChem CID 90991369) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate
PubChem CID90991369
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O4/c14-9-4-5-10(15)13(9)17-11(16)8-12-6-2-1-3-7-12/h4-5,14-15H,1-3,6-8H2
InChIKeyKYAZODHMZZGLAN-UHFFFAOYSA-N
XLogP0.34
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
[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-Dihydroxypyrrol-1-yl) 2-tritioacetate
CID 53633348
(2,5-Dihydroxypyrrol-1-yl) 2,2-ditritioacetate
CID 53633349
(2,5-Dihydroxypyrrol-1-yl) 2-deuterioacetate
CID 53633350
(2,5-Dihydroxypyrrol-1-yl) 2,2,2-tritritioacetate
CID 53633351
2-(2,5-Dihydroxypyrrol-1-yl)acetic acid
CID 53683313
(2,5-Dihydroxypyrrol-1-yl) 2-aminoacetate
CID 53728945
Tert-butyl 2-(2,5-dihydroxypyrrol-1-yl)acetate
CID 53877464

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate (CID 90991369) is (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate is O=C(CN1CCCCC1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate?
The InChIKey is KYAZODHMZZGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-4-5-10(15)13(9)17-11(16)8-12-6-2-1-3-7-12/h4-5,14-15H,1-3,6-8H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate?
(2,5-dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate has a molecular weight of 240.26 g/mol, XLogP of 0.34, 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-piperidin-1-ylacetate is sourced from PubChem (CID 90991369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).