5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide

C13H20N2O5 — CID 91018453

IUPAC5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide
SMILESCOCCCNC(=O)CCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C13H20N2O5/c1-20-9-3-8-14-10(16)4-2-5-11(17)15-12(18)6-7-13(15)19/h6-7,18-19H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyOUMRKUMAULUZBG-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.86
Rot. Bonds8

About 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide

5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide (PubChem CID 91018453) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide
PubChem CID91018453
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide
SMILESCOCCCNC(=O)CCCC(=O)n1c(O)ccc1O
InChIInChI=1S/C13H20N2O5/c1-20-9-3-8-14-10(16)4-2-5-11(17)15-12(18)6-7-13(15)19/h6-7,18-19H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyOUMRKUMAULUZBG-UHFFFAOYSA-N
XLogP0.86
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutanamide
CID 53947553
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
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
6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
CID 54249191
1-(2,5-Dihydroxypyrrol-1-yl)-3-methoxypropan-1-one
CID 54431337
Ethyl 5-(2,5-dihydroxypyrrol-1-yl)pentanoate
CID 54461942
(2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one
CID 56617877
1-[6-(2,5-Dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 57074307

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide?
The IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide (CID 91018453) is 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide.
What is the SMILES notation for 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide?
The canonical SMILES for 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide is COCCCNC(=O)CCCC(=O)n1c(O)ccc1O.
What is the InChIKey of 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide?
The InChIKey is OUMRKUMAULUZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-20-9-3-8-14-10(16)4-2-5-11(17)15-12(18)6-7-13(15)19/h6-7,18-19H,2-5,8-9H2,1H3,(H,14,16).
What are the key properties of 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide?
5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide has a molecular weight of 284.31 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide is sourced from PubChem (CID 91018453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).