3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid

C11H12N2O6 — CID 57263465

IUPAC3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid
SMILESO=C(O)CC(n1c(O)ccc1O)n1c(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/h1-4,6,14-17H,5H2,(H,18,19)
InChIKeySXCLNGNEYDPSNY-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.63
Rot. Bonds4

About 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid

3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid (PubChem CID 57263465) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid
PubChem CID57263465
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid
SMILESO=C(O)CC(n1c(O)ccc1O)n1c(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/h1-4,6,14-17H,5H2,(H,18,19)
InChIKeySXCLNGNEYDPSNY-UHFFFAOYSA-N
XLogP0.63
TPSA128.08 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[[1-Carboxy-2-(2,5-dihydroxypyrrol-1-yl)-1-sulfoethyl]disulfanyl]-3-(2,5-dihydroxypyrrol-1-yl)-2-sulfopropanoic acid
CID 53955177
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
2,2-Bis(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 54169682
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 54497013
2-[[1-Carboxy-2-(2,5-dihydroxypyrrol-1-yl)ethyl]disulfanyl]-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 54509190
3,3-Bis(2,5-dihydroxypyrrol-1-yl)-2,3-bis(sulfanyl)propanoic acid
CID 57003836
2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 91471577
2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)-2-methylpropanoic acid
CID 91306695
Disulfanyl 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53667797
1-[6-(2,5-Dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
CID 53695294

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid?
The IUPAC name of 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid (CID 57263465) is 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid?
The canonical SMILES for 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid is O=C(O)CC(n1c(O)ccc1O)n1c(O)ccc1O.
What is the InChIKey of 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid?
The InChIKey is SXCLNGNEYDPSNY-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/h1-4,6,14-17H,5H2,(H,18,19).
What are the key properties of 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid?
3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2,5-dihydroxypyrrol-1-yl)propanoic acid is sourced from PubChem (CID 57263465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).