2-pyrrolidin-1-ylethyl 3-methoxypropanoate

C10H19NO3 — CID 122692318

IUPAC2-pyrrolidin-1-ylethyl 3-methoxypropanoate
SMILESCOCCC(=O)OCCN1CCCC1
InChIInChI=1S/C10H19NO3/c1-13-8-4-10(12)14-9-7-11-5-2-3-6-11/h2-9H2,1H3
InChIKeyPKTRGTZWVCVZBA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds6

About 2-pyrrolidin-1-ylethyl 3-methoxypropanoate

2-pyrrolidin-1-ylethyl 3-methoxypropanoate (PubChem CID 122692318) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 3-methoxypropanoate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 3-methoxypropanoate
PubChem CID122692318
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-pyrrolidin-1-ylethyl 3-methoxypropanoate
SMILESCOCCC(=O)OCCN1CCCC1
InChIInChI=1S/C10H19NO3/c1-13-8-4-10(12)14-9-7-11-5-2-3-6-11/h2-9H2,1H3
InChIKeyPKTRGTZWVCVZBA-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 3-methoxypropanoate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 3-methoxypropanoate (CID 122692318) is 2-pyrrolidin-1-ylethyl 3-methoxypropanoate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 3-methoxypropanoate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 3-methoxypropanoate is COCCC(=O)OCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 3-methoxypropanoate?
The InChIKey is PKTRGTZWVCVZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-8-4-10(12)14-9-7-11-5-2-3-6-11/h2-9H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylethyl 3-methoxypropanoate?
2-pyrrolidin-1-ylethyl 3-methoxypropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 3-methoxypropanoate is sourced from PubChem (CID 122692318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).