bis(2,5-dihydroxypyrrol-1-yl) pentanedioate

C13H14N2O8 — CID 54387525

IUPACbis(2,5-dihydroxypyrrol-1-yl) pentanedioate
SMILESO=C(CCCC(=O)On1c(O)ccc1O)On1c(O)ccc1O
InChIInChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h4-7,16-19H,1-3H2
InChIKeyVEHGCADUVLLLCX-UHFFFAOYSA-N
MW326.26 g/mol
LogP-0.11
Rot. Bonds6

About bis(2,5-dihydroxypyrrol-1-yl) pentanedioate

bis(2,5-dihydroxypyrrol-1-yl) pentanedioate (PubChem CID 54387525) has the molecular formula C13H14N2O8 and a molecular weight of 326.26 g/mol. Its IUPAC name is bis(2,5-dihydroxypyrrol-1-yl) pentanedioate.

Molecular Properties

Compound Namebis(2,5-dihydroxypyrrol-1-yl) pentanedioate
PubChem CID54387525
Molecular FormulaC13H14N2O8
Molecular Weight326.26 g/mol
Exact Mass326.08
IUPAC Namebis(2,5-dihydroxypyrrol-1-yl) pentanedioate
SMILESO=C(CCCC(=O)On1c(O)ccc1O)On1c(O)ccc1O
InChIInChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h4-7,16-19H,1-3H2
InChIKeyVEHGCADUVLLLCX-UHFFFAOYSA-N
XLogP-0.11
TPSA143.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
(2,5-Dihydroxypyrrol-1-yl) 3-[[3-(2,5-dihydroxypyrrol-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate
CID 53941111
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
(2,5-Dihydroxypyrrol-1-yl) 11-[[11-(2,5-dihydroxypyrrol-1-yl)oxy-11-oxoundecyl]disulfanyl]undecanoate
CID 54051648
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
2,2-Bis(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 54169682
bis(2,5-dihydroxypyrrol-1-yl) (2S)-2-aminopentanedioate
CID 54170576
(2,5-Dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
CID 54220759
Bis(2,5-dihydroxypyrrol-1-yl) hexanedioate
CID 54240968

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dihydroxypyrrol-1-yl) pentanedioate?
The IUPAC name of bis(2,5-dihydroxypyrrol-1-yl) pentanedioate (CID 54387525) is bis(2,5-dihydroxypyrrol-1-yl) pentanedioate.
What is the SMILES notation for bis(2,5-dihydroxypyrrol-1-yl) pentanedioate?
The canonical SMILES for bis(2,5-dihydroxypyrrol-1-yl) pentanedioate is O=C(CCCC(=O)On1c(O)ccc1O)On1c(O)ccc1O.
What is the InChIKey of bis(2,5-dihydroxypyrrol-1-yl) pentanedioate?
The InChIKey is VEHGCADUVLLLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h4-7,16-19H,1-3H2.
What are the key properties of bis(2,5-dihydroxypyrrol-1-yl) pentanedioate?
bis(2,5-dihydroxypyrrol-1-yl) pentanedioate has a molecular weight of 326.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dihydroxypyrrol-1-yl) pentanedioate is sourced from PubChem (CID 54387525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).