[1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate

C13H23NO4 — CID 72620570

IUPAC[1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate
SMILESCCC(=O)OCC1CN(C)CC1COC(=O)CC
InChIInChI=1S/C13H23NO4/c1-4-12(15)17-8-10-6-14(3)7-11(10)9-18-13(16)5-2/h10-11H,4-9H2,1-3H3
InChIKeyIEXLROGNMOPYAP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.07
Rot. Bonds6

About [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate

[1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate (PubChem CID 72620570) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate.

Molecular Properties

Compound Name[1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate
PubChem CID72620570
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate
SMILESCCC(=O)OCC1CN(C)CC1COC(=O)CC
InChIInChI=1S/C13H23NO4/c1-4-12(15)17-8-10-6-14(3)7-11(10)9-18-13(16)5-2/h10-11H,4-9H2,1-3H3
InChIKeyIEXLROGNMOPYAP-UHFFFAOYSA-N
XLogP1.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate?
The IUPAC name of [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate (CID 72620570) is [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate.
What is the SMILES notation for [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate?
The canonical SMILES for [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate is CCC(=O)OCC1CN(C)CC1COC(=O)CC.
What is the InChIKey of [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate?
The InChIKey is IEXLROGNMOPYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-12(15)17-8-10-6-14(3)7-11(10)9-18-13(16)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate?
[1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate has a molecular weight of 257.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(propanoyloxymethyl)pyrrolidin-3-yl]methyl propanoate is sourced from PubChem (CID 72620570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).