2-(2,5-dihydroxypyrrol-1-yl)butanediamide

C8H11N3O4 — CID 54360136

IUPAC2-(2,5-dihydroxypyrrol-1-yl)butanediamide
SMILESNC(=O)CC(C(N)=O)n1c(O)ccc1O
InChIInChI=1S/C8H11N3O4/c9-5(12)3-4(8(10)15)11-6(13)1-2-7(11)14/h1-2,4,13-14H,3H2,(H2,9,12)(H2,10,15)
InChIKeyULYDMBLSUSMOHV-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.20
Rot. Bonds4

About 2-(2,5-dihydroxypyrrol-1-yl)butanediamide

2-(2,5-dihydroxypyrrol-1-yl)butanediamide (PubChem CID 54360136) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)butanediamide.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)butanediamide
PubChem CID54360136
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)butanediamide
SMILESNC(=O)CC(C(N)=O)n1c(O)ccc1O
InChIInChI=1S/C8H11N3O4/c9-5(12)3-4(8(10)15)11-6(13)1-2-7(11)14/h1-2,4,13-14H,3H2,(H2,9,12)(H2,10,15)
InChIKeyULYDMBLSUSMOHV-UHFFFAOYSA-N
XLogP-1.20
TPSA131.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
2-(2,5-Dihydroxypyrrol-1-yl)butanedioic acid
CID 54377837
[3-(2,5-Dihydroxypyrrol-1-yl)-2-oxoazetidin-1-yl] acetate
CID 53672248
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
4-(2,5-Dihydroxypyrrol-1-yl)butanoic acid
CID 53867299
1-(2-Aminoethyl)pyrrole-2,5-diol
CID 53867567
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutanamide
CID 53947553

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)butanediamide?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)butanediamide (CID 54360136) is 2-(2,5-dihydroxypyrrol-1-yl)butanediamide.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)butanediamide?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)butanediamide is NC(=O)CC(C(N)=O)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)butanediamide?
The InChIKey is ULYDMBLSUSMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-5(12)3-4(8(10)15)11-6(13)1-2-7(11)14/h1-2,4,13-14H,3H2,(H2,9,12)(H2,10,15).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)butanediamide?
2-(2,5-dihydroxypyrrol-1-yl)butanediamide has a molecular weight of 213.19 g/mol, XLogP of -1.20, 4 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)butanediamide is sourced from PubChem (CID 54360136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).