(2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate

C14H23NO6 — CID 123239820

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate
SMILESCOC(C)(C)CCOC(C)(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C14H23NO6/c1-13(2,19-5)8-9-20-14(3,4)12(18)21-15-10(16)6-7-11(15)17/h6-7,16-17H,8-9H2,1-5H3
InChIKeyWKEOAHXDOZAAOU-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.46
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate

(2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate (PubChem CID 123239820) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate
PubChem CID123239820
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate
SMILESCOC(C)(C)CCOC(C)(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C14H23NO6/c1-13(2,19-5)8-9-20-14(3,4)12(18)21-15-10(16)6-7-11(15)17/h6-7,16-17H,8-9H2,1-5H3
InChIKeyWKEOAHXDOZAAOU-UHFFFAOYSA-N
XLogP1.46
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
CID 123396731
(4-nitrophenyl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate
CID 142332229
(2,5-dihydroxypyrrol-1-yl) 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
CID 123778443
[4-[(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxymethyl]phenyl] 2-[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl]hexanoate
CID 91031249
(2,5-dihydroxypyrrol-1-yl) 4-methyl-4-(3-methylbutoxy)pentanoate
CID 90930859
1-imidazol-1-yl-2-(3-methoxy-3-methylbutoxy)-2-methylpropan-1-one
CID 167225834
(2,5-dihydroxypyrrol-1-yl) 2,2,4,4-tetramethyl-6-oxoheptanoate
CID 123250457
tert-butyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 54472893
(2,5-dihydroxypyrrol-1-yl) 3-[3-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]-3-methylbutoxy]-3-methylpentanoate
CID 123856430
(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate
CID 106665941
[4-[(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxymethyl]phenyl] 5-(3-methoxy-3-methylpentoxy)-2,5-dimethylhexanoate
CID 91499395
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate (CID 123239820) is (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate is COC(C)(C)CCOC(C)(C)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate?
The InChIKey is WKEOAHXDOZAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2,19-5)8-9-20-14(3,4)12(18)21-15-10(16)6-7-11(15)17/h6-7,16-17H,8-9H2,1-5H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate?
(2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate has a molecular weight of 301.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(3-methoxy-3-methylbutoxy)-2-methylpropanoate is sourced from PubChem (CID 123239820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).