ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate

C10H19NO3 — CID 58861490

IUPACethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCC1CO
InChIInChI=1S/C10H19NO3/c1-2-14-10(13)5-7-11-6-3-4-9(11)8-12/h9,12H,2-8H2,1H3
InChIKeyQYFQQEBRUUAEJU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds5

About ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate

ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate (PubChem CID 58861490) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
PubChem CID58861490
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCC1CO
InChIInChI=1S/C10H19NO3/c1-2-14-10(13)5-7-11-6-3-4-9(11)8-12/h9,12H,2-8H2,1H3
InChIKeyQYFQQEBRUUAEJU-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate (CID 58861490) is ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate is CCOC(=O)CCN1CCCC1CO.
What is the InChIKey of ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate?
The InChIKey is QYFQQEBRUUAEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-10(13)5-7-11-6-3-4-9(11)8-12/h9,12H,2-8H2,1H3.
What are the key properties of ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate?
ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 58861490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).