ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate

C14H27NO3 — CID 83043694

IUPACethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate
SMILESCCCC(C(=O)OCC)C1(O)CCN(C(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-7-12(13(16)18-6-2)14(17)8-9-15(10-14)11(3)4/h11-12,17H,5-10H2,1-4H3
InChIKeyHRIHEXYXTFMWTE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.81
Rot. Bonds6

About ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate

ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate (PubChem CID 83043694) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate
PubChem CID83043694
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate
SMILESCCCC(C(=O)OCC)C1(O)CCN(C(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-7-12(13(16)18-6-2)14(17)8-9-15(10-14)11(3)4/h11-12,17H,5-10H2,1-4H3
InChIKeyHRIHEXYXTFMWTE-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate?
The IUPAC name of ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate (CID 83043694) is ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate.
What is the SMILES notation for ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate?
The canonical SMILES for ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate is CCCC(C(=O)OCC)C1(O)CCN(C(C)C)C1.
What is the InChIKey of ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate?
The InChIKey is HRIHEXYXTFMWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-12(13(16)18-6-2)14(17)8-9-15(10-14)11(3)4/h11-12,17H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate?
ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate has a molecular weight of 257.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate is sourced from PubChem (CID 83043694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).