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

C9H11N3O4 — CID 54252739

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
SMILESO=C(Cn1c(O)ccc1O)NC1CNC1=O
InChIInChI=1S/C9H11N3O4/c13-6(11-5-3-10-9(5)16)4-12-7(14)1-2-8(12)15/h1-2,5,14-15H,3-4H2,(H,10,16)(H,11,13)
InChIKeyQXXLWYYBPFLPRT-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.49
Rot. Bonds3

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

2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide (PubChem CID 54252739) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
PubChem CID54252739
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
SMILESO=C(Cn1c(O)ccc1O)NC1CNC1=O
InChIInChI=1S/C9H11N3O4/c13-6(11-5-3-10-9(5)16)4-12-7(14)1-2-8(12)15/h1-2,5,14-15H,3-4H2,(H,10,16)(H,11,13)
InChIKeyQXXLWYYBPFLPRT-UHFFFAOYSA-N
XLogP-1.49
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
2-[3-(2,5-Dihydroxypyrrol-1-yl)-2-fluoro-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid
CID 57319380
[3-(2,5-Dihydroxypyrrol-1-yl)-2-oxoazetidin-1-yl] acetate
CID 53672248
(2,5-dihydroxypyrrol-1-yl) (2S)-4-oxoazetidine-2-carboxylate
CID 53687125
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
1-[2-(2,5-Dihydroxypyrrol-1-yl)acetyl]aziridine-2-carbonitrile
CID 53738860
2-Amino-1-(2,5-dihydroxypyrrol-1-yl)ethanone
CID 53766548
(2S)-4-(2,5-dihydroxypyrrol-1-yl)-N-(3-oxo-1-sulfanylbutan-2-yl)-2-sulfanylbutanamide
CID 53841332
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
1-(2-Aminoethyl)pyrrole-2,5-diol
CID 53867567
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
2-(2,5-Dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 53967311

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide (CID 54252739) is 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide is O=C(Cn1c(O)ccc1O)NC1CNC1=O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide?
The InChIKey is QXXLWYYBPFLPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-6(11-5-3-10-9(5)16)4-12-7(14)1-2-8(12)15/h1-2,5,14-15H,3-4H2,(H,10,16)(H,11,13).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide?
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide has a molecular weight of 225.20 g/mol, XLogP of -1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide is sourced from PubChem (CID 54252739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).