2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide

C12H19N3O5 — CID 91082899

IUPAC2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide
SMILESCNC(=O)C(CC(=O)NCCO)n1c(O)cc(C)c1O
InChIInChI=1S/C12H19N3O5/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16/h5,8,16,18,20H,3-4,6H2,1-2H3,(H,13,19)(H,14,17)
InChIKeyJMOPQTSYMGOAFH-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.01
Rot. Bonds6

About 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide

2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide (PubChem CID 91082899) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide.

Molecular Properties

Compound Name2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide
PubChem CID91082899
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide
SMILESCNC(=O)C(CC(=O)NCCO)n1c(O)cc(C)c1O
InChIInChI=1S/C12H19N3O5/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16/h5,8,16,18,20H,3-4,6H2,1-2H3,(H,13,19)(H,14,17)
InChIKeyJMOPQTSYMGOAFH-UHFFFAOYSA-N
XLogP-1.01
TPSA123.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
CID 54146652
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
CID 54252739
2-(2,5-Dihydroxypyrrol-1-yl)butanediamide
CID 54360136
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide
CID 57157782
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide
CID 90740310
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide
CID 90809410
3-[[3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)-4-(methylamino)-4-oxobutanoyl]amino]propyl-trimethylazanium
CID 90858628
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 90947988
2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide
CID 90962872
N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide
CID 90963090

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide?
The IUPAC name of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide (CID 91082899) is 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide.
What is the SMILES notation for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide?
The canonical SMILES for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide is CNC(=O)C(CC(=O)NCCO)n1c(O)cc(C)c1O.
What is the InChIKey of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide?
The InChIKey is JMOPQTSYMGOAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16/h5,8,16,18,20H,3-4,6H2,1-2H3,(H,13,19)(H,14,17).
What are the key properties of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide?
2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide has a molecular weight of 285.30 g/mol, XLogP of -1.01, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide is sourced from PubChem (CID 91082899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).