6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide

C15H26N4O4 — CID 91353482

IUPAC6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
SMILESCNC(CCCCNC(=O)CCn1c(O)cc(C)c1O)C(N)=O
InChIInChI=1S/C15H26N4O4/c1-10-9-13(21)19(15(10)23)8-6-12(20)18-7-4-3-5-11(17-2)14(16)22/h9,11,17,21,23H,3-8H2,1-2H3,(H2,16,22)(H,18,20)
InChIKeyFTKUVBWYUIIHPL-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.04
Rot. Bonds10

About 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide

6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide (PubChem CID 91353482) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
PubChem CID91353482
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
SMILESCNC(CCCCNC(=O)CCn1c(O)cc(C)c1O)C(N)=O
InChIInChI=1S/C15H26N4O4/c1-10-9-13(21)19(15(10)23)8-6-12(20)18-7-4-3-5-11(17-2)14(16)22/h9,11,17,21,23H,3-8H2,1-2H3,(H2,16,22)(H,18,20)
InChIKeyFTKUVBWYUIIHPL-UHFFFAOYSA-N
XLogP-0.04
TPSA129.61 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
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
(2,5-dihydroxypyrrol-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
CID 54573862
(2S)-2-[[(2S)-4-(2,5-dihydroxypyrrol-1-yl)-2-sulfanylbutanoyl]amino]-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 57303384
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-(2,5-Dihydroxypyrrol-1-yl)azepan-2-one
CID 90822006
3-[[3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)-4-(methylamino)-4-oxobutanoyl]amino]propyl-trimethylazanium
CID 90858628
(2S)-2-(2-hydroxy-4-methylpyrrol-1-yl)butanamide
CID 90907826

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide?
The IUPAC name of 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide (CID 91353482) is 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide.
What is the SMILES notation for 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide?
The canonical SMILES for 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide is CNC(CCCCNC(=O)CCn1c(O)cc(C)c1O)C(N)=O.
What is the InChIKey of 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide?
The InChIKey is FTKUVBWYUIIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-10-9-13(21)19(15(10)23)8-6-12(20)18-7-4-3-5-11(17-2)14(16)22/h9,11,17,21,23H,3-8H2,1-2H3,(H2,16,22)(H,18,20).
What are the key properties of 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide?
6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide has a molecular weight of 326.40 g/mol, XLogP of -0.04, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide is sourced from PubChem (CID 91353482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).