(2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate

C10H13NO5 — CID 90812649

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate
SMILESO=C(C[C@@H]1CCOC1)On1c(O)ccc1O
InChIInChI=1S/C10H13NO5/c12-8-1-2-9(13)11(8)16-10(14)5-7-3-4-15-6-7/h1-2,7,12-13H,3-6H2/t7-/m0/s1
InChIKeyNAAVBIIRWUYMCQ-ZETCQYMHSA-N
MW227.22 g/mol
LogP0.28
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate (PubChem CID 90812649) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate
PubChem CID90812649
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate
SMILESO=C(C[C@@H]1CCOC1)On1c(O)ccc1O
InChIInChI=1S/C10H13NO5/c12-8-1-2-9(13)11(8)16-10(14)5-7-3-4-15-6-7/h1-2,7,12-13H,3-6H2/t7-/m0/s1
InChIKeyNAAVBIIRWUYMCQ-ZETCQYMHSA-N
XLogP0.28
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
Bis(2,5-dihydroxypyrrol-1-yl) pentanedioate
CID 54387525
5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-methyl butanedioate
CID 57291270
(2,5-Dihydroxypyrrol-1-yl) 3-methoxypropanoate
CID 91025215
(2,5-Dihydroxypyrrol-1-yl) 3-methylbutanoate
CID 91597943
Bis(2,5-dihydroxypyrrol-1-yl) 3-(azidomethyl)pentanedioate
CID 91218574
5-(2,5-Dihydroxypyrrol-1-yl)oxypentanoic acid
CID 53662773
(2,5-Dihydroxypyrrol-1-yl) 2-ethylbutanoate
CID 53788688
(2,5-Dihydroxypyrrol-1-yl) 6-oxohexanoate
CID 53801807
(2,5-Dihydroxypyrrol-1-yl) hexaneperoxoate
CID 53802219

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate (CID 90812649) is (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate is O=C(C[C@@H]1CCOC1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate?
The InChIKey is NAAVBIIRWUYMCQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO5/c12-8-1-2-9(13)11(8)16-10(14)5-7-3-4-15-6-7/h1-2,7,12-13H,3-6H2/t7-/m0/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate has a molecular weight of 227.22 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[(3S)-oxolan-3-yl]acetate is sourced from PubChem (CID 90812649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).