2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide

C9H13N3O4 — CID 57157782

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide
SMILESO=C(Cn1c(O)ccc1O)NC1CNC1O
InChIInChI=1S/C9H13N3O4/c13-6(11-5-3-10-9(5)16)4-12-7(14)1-2-8(12)15/h1-2,5,9-10,14-16H,3-4H2,(H,11,13)
InChIKeyAIZSNASEWMJQTK-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.69
Rot. Bonds3

About 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide

2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide (PubChem CID 57157782) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide
PubChem CID57157782
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide
SMILESO=C(Cn1c(O)ccc1O)NC1CNC1O
InChIInChI=1S/C9H13N3O4/c13-6(11-5-3-10-9(5)16)4-12-7(14)1-2-8(12)15/h1-2,5,9-10,14-16H,3-4H2,(H,11,13)
InChIKeyAIZSNASEWMJQTK-UHFFFAOYSA-N
XLogP-1.69
TPSA106.75 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
CID 54252739
2-(2,5-Dihydroxypyrrol-1-yl)butanediamide
CID 54360136
3-[[2-(2,5-Dihydroxypyrrol-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid
CID 54538497
3-(2,5-Dihydroxypyrrol-1-yl)azepan-2-one
CID 90822006
2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide
CID 90962872
tert-butyl N-[1-[[2-(2,5-dihydroxypyrrol-1-yl)acetyl]amino]propan-2-yl]-N-methylcarbamate
CID 91012491
2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide
CID 91082899
1-[2-(2-Hydroxyethylamino)ethyl]pyrrole-2,5-diol
CID 91557440
2-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide
CID 123926002

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide (CID 57157782) is 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide is O=C(Cn1c(O)ccc1O)NC1CNC1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide?
The InChIKey is AIZSNASEWMJQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-6(11-5-3-10-9(5)16)4-12-7(14)1-2-8(12)15/h1-2,5,9-10,14-16H,3-4H2,(H,11,13).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide?
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.69, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide is sourced from PubChem (CID 57157782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).