(2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate

C10H15NO4 — CID 54564838

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate
SMILESCC(C)CCC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H15NO4/c1-7(2)3-6-10(14)15-11-8(12)4-5-9(11)13/h4-5,7,12-13H,3,6H2,1-2H3
InChIKeyZTBOCEJUMUKLSM-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.29
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate

(2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate (PubChem CID 54564838) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate
PubChem CID54564838
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate
SMILESCC(C)CCC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H15NO4/c1-7(2)3-6-10(14)15-11-8(12)4-5-9(11)13/h4-5,7,12-13H,3,6H2,1-2H3
InChIKeyZTBOCEJUMUKLSM-UHFFFAOYSA-N
XLogP1.29
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
CID 53669639
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
(2,5-Dihydroxypyrrol-1-yl) octadec-9-enoate
CID 54084610
(2,5-Dihydroxypyrrol-1-yl) 2-acetylsulfanylacetate
CID 54099864

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate (CID 54564838) is (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate is CC(C)CCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate?
The InChIKey is ZTBOCEJUMUKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(2)3-6-10(14)15-11-8(12)4-5-9(11)13/h4-5,7,12-13H,3,6H2,1-2H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate?
(2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate has a molecular weight of 213.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-methylpentanoate is sourced from PubChem (CID 54564838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).