methyl 3-pyrrolidin-3-ylpropanoate

C8H15NO2 — CID 55264397

IUPACmethyl 3-pyrrolidin-3-ylpropanoate
SMILESCOC(=O)CCC1CCNC1
InChIInChI=1S/C8H15NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h7,9H,2-6H2,1H3
InChIKeyIGDJQOWNEAVMDD-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds3

About methyl 3-pyrrolidin-3-ylpropanoate

methyl 3-pyrrolidin-3-ylpropanoate (PubChem CID 55264397) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 3-pyrrolidin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-3-ylpropanoate
PubChem CID55264397
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 3-pyrrolidin-3-ylpropanoate
SMILESCOC(=O)CCC1CCNC1
InChIInChI=1S/C8H15NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h7,9H,2-6H2,1H3
InChIKeyIGDJQOWNEAVMDD-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-3-ylpropanoate?
The IUPAC name of methyl 3-pyrrolidin-3-ylpropanoate (CID 55264397) is methyl 3-pyrrolidin-3-ylpropanoate.
What is the SMILES notation for methyl 3-pyrrolidin-3-ylpropanoate?
The canonical SMILES for methyl 3-pyrrolidin-3-ylpropanoate is COC(=O)CCC1CCNC1.
What is the InChIKey of methyl 3-pyrrolidin-3-ylpropanoate?
The InChIKey is IGDJQOWNEAVMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h7,9H,2-6H2,1H3.
What are the key properties of methyl 3-pyrrolidin-3-ylpropanoate?
methyl 3-pyrrolidin-3-ylpropanoate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-3-ylpropanoate is sourced from PubChem (CID 55264397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).