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

C8H11N3O4 — CID 54082843

IUPACN'-(2,5-dihydroxypyrrol-1-yl)butanediamide
SMILESNC(=O)CCC(=O)Nn1c(O)ccc1O
InChIInChI=1S/C8H11N3O4/c9-5(12)1-2-6(13)10-11-7(14)3-4-8(11)15/h3-4,14-15H,1-2H2,(H2,9,12)(H,10,13)
InChIKeyMOIHGLXAFVIBTI-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.77
Rot. Bonds4

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

N'-(2,5-dihydroxypyrrol-1-yl)butanediamide (PubChem CID 54082843) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is N'-(2,5-dihydroxypyrrol-1-yl)butanediamide.

Molecular Properties

Compound NameN'-(2,5-dihydroxypyrrol-1-yl)butanediamide
PubChem CID54082843
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC NameN'-(2,5-dihydroxypyrrol-1-yl)butanediamide
SMILESNC(=O)CCC(=O)Nn1c(O)ccc1O
InChIInChI=1S/C8H11N3O4/c9-5(12)1-2-6(13)10-11-7(14)3-4-8(11)15/h3-4,14-15H,1-2H2,(H2,9,12)(H,10,13)
InChIKeyMOIHGLXAFVIBTI-UHFFFAOYSA-N
XLogP-0.77
TPSA117.58 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 ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N'-(2,5-dihydroxypyrrol-1-yl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
1-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 57001223
(2,5-Dihydroxypyrrol-1-yl)urea
CID 53665703
(2,5-Dihydroxypyrrol-1-yl) 4-amino-4-oxobutanoate
CID 53708313
1-Aminopyrrole-2,5-diol
CID 53803811
N',N'-bis(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 53857863
N-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide
CID 53864344
N-(2,5-dihydroxypyrrol-1-yl)formamide
CID 53887383
4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutanamide
CID 53947553
1-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54051975
6-(2,5-Dihydroxypyrrol-1-yl)hexanehydrazide
CID 54078590
N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
CID 54125293

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dihydroxypyrrol-1-yl)butanediamide?
The IUPAC name of N'-(2,5-dihydroxypyrrol-1-yl)butanediamide (CID 54082843) is N'-(2,5-dihydroxypyrrol-1-yl)butanediamide.
What is the SMILES notation for N'-(2,5-dihydroxypyrrol-1-yl)butanediamide?
The canonical SMILES for N'-(2,5-dihydroxypyrrol-1-yl)butanediamide is NC(=O)CCC(=O)Nn1c(O)ccc1O.
What is the InChIKey of N'-(2,5-dihydroxypyrrol-1-yl)butanediamide?
The InChIKey is MOIHGLXAFVIBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-5(12)1-2-6(13)10-11-7(14)3-4-8(11)15/h3-4,14-15H,1-2H2,(H2,9,12)(H,10,13).
What are the key properties of N'-(2,5-dihydroxypyrrol-1-yl)butanediamide?
N'-(2,5-dihydroxypyrrol-1-yl)butanediamide has a molecular weight of 213.19 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dihydroxypyrrol-1-yl)butanediamide is sourced from PubChem (CID 54082843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).