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

C11H12N2O4 — CID 91566809

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate
SMILESO=C(CCc1cc[nH]c1)On1c(O)ccc1O
InChIInChI=1S/C11H12N2O4/c14-9-2-3-10(15)13(9)17-11(16)4-1-8-5-6-12-7-8/h2-3,5-7,12,14-15H,1,4H2
InChIKeyRNBRIQYPPBLIDE-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.82
Rot. Bonds4

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

(2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate (PubChem CID 91566809) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate
PubChem CID91566809
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate
SMILESO=C(CCc1cc[nH]c1)On1c(O)ccc1O
InChIInChI=1S/C11H12N2O4/c14-9-2-3-10(15)13(9)17-11(16)4-1-8-5-6-12-7-8/h2-3,5-7,12,14-15H,1,4H2
InChIKeyRNBRIQYPPBLIDE-UHFFFAOYSA-N
XLogP0.82
TPSA87.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
4-[3-(2,5-dihydroxypyrrol-1-yl)oxy-3-oxopropyl]benzenesulfinate
CID 57087008
(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl) 2-(1H-pyrrol-3-yl)acetate
CID 91054471
(2,5-dihydroxypyrrol-1-yl) 5-bromopentanoate
CID 91257177
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate
CID 123934425
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
CID 91419311
(2,5-dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220
(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate
CID 54352633
(2,5-dihydroxypyrrol-1-yl) 2-cyanoacetate
CID 54124320
7-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl heptanedioate
CID 123764437
(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate
CID 91318802

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate (CID 91566809) is (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate is O=C(CCc1cc[nH]c1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate?
The InChIKey is RNBRIQYPPBLIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-9-2-3-10(15)13(9)17-11(16)4-1-8-5-6-12-7-8/h2-3,5-7,12,14-15H,1,4H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate has a molecular weight of 236.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(1H-pyrrol-3-yl)propanoate is sourced from PubChem (CID 91566809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).