(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate

C11H12N2O6 — CID 54497013

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate
SMILESO=C(CCn1c(O)ccc1O)On1c(O)ccc1O
InChIInChI=1S/C11H12N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-4,14-17H,5-6H2
InChIKeyXZUVUPWZYZESCG-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.16
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate

(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate (PubChem CID 54497013) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate
PubChem CID54497013
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate
SMILESO=C(CCn1c(O)ccc1O)On1c(O)ccc1O
InChIInChI=1S/C11H12N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-4,14-17H,5-6H2
InChIKeyXZUVUPWZYZESCG-UHFFFAOYSA-N
XLogP0.16
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
3-[[2-Carboxy-1-(2,5-dihydroxypyrrol-1-yl)-2-sulfoethyl]disulfanyl]-3-(2,5-dihydroxypyrrol-1-yl)-2-sulfopropanoic acid
CID 53725262
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(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
2-[[1-Carboxy-2-(2,5-dihydroxypyrrol-1-yl)-1-sulfoethyl]disulfanyl]-3-(2,5-dihydroxypyrrol-1-yl)-2-sulfopropanoic acid
CID 53955177
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate (CID 54497013) is (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate is O=C(CCn1c(O)ccc1O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate?
The InChIKey is XZUVUPWZYZESCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-4,14-17H,5-6H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate has a molecular weight of 268.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate is sourced from PubChem (CID 54497013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).