(2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate

C10H16N2O4 — CID 91608940

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H16N2O4/c1-3-11(4-2)7-10(15)16-12-8(13)5-6-9(12)14/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyUZJVGZSLUSSEIA-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.20
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate

(2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate (PubChem CID 91608940) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate
PubChem CID91608940
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H16N2O4/c1-3-11(4-2)7-10(15)16-12-8(13)5-6-9(12)14/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyUZJVGZSLUSSEIA-UHFFFAOYSA-N
XLogP0.20
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2R)-2-(2,5-dihydroxypyrrol-1-yl)-3-sulfanylpropanoic acid
CID 54030153
(2,5-Dihydroxypyrrol-1-yl) 2-acetylsulfanylacetate
CID 54099864

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate (CID 91608940) is (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate is CCN(CC)CC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate?
The InChIKey is UZJVGZSLUSSEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-11(4-2)7-10(15)16-12-8(13)5-6-9(12)14/h5-6,13-14H,3-4,7H2,1-2H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate?
(2,5-dihydroxypyrrol-1-yl) 2-(diethylamino)acetate has a molecular weight of 228.25 g/mol, XLogP of 0.20, 5 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-(diethylamino)acetate is sourced from PubChem (CID 91608940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).