[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate

C12H15NO4 — CID 154858942

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(O)CCCC1)c1ccc[nH]1
InChIInChI=1S/C12H15NO4/c14-10(9-4-3-7-13-9)8-17-11(15)12(16)5-1-2-6-12/h3-4,7,13,16H,1-2,5-6,8H2
InChIKeyFSPTWNRIVXUEDZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.05
Rot. Bonds4

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate (PubChem CID 154858942) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate
PubChem CID154858942
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(O)CCCC1)c1ccc[nH]1
InChIInChI=1S/C12H15NO4/c14-10(9-4-3-7-13-9)8-17-11(15)12(16)5-1-2-6-12/h3-4,7,13,16H,1-2,5-6,8H2
InChIKeyFSPTWNRIVXUEDZ-UHFFFAOYSA-N
XLogP1.05
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate (CID 154858942) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate is O=C(COC(=O)C1(O)CCCC1)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate?
The InChIKey is FSPTWNRIVXUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-10(9-4-3-7-13-9)8-17-11(15)12(16)5-1-2-6-12/h3-4,7,13,16H,1-2,5-6,8H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 154858942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).