3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid

C13H23NO3 — CID 82838620

IUPAC3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
SMILESCC1CCC(CN2CCC(CCC(=O)O)C2)O1
InChIInChI=1S/C13H23NO3/c1-10-2-4-12(17-10)9-14-7-6-11(8-14)3-5-13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyICPGKJRERCMSCI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds5

About 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid

3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid (PubChem CID 82838620) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
PubChem CID82838620
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
SMILESCC1CCC(CN2CCC(CCC(=O)O)C2)O1
InChIInChI=1S/C13H23NO3/c1-10-2-4-12(17-10)9-14-7-6-11(8-14)3-5-13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyICPGKJRERCMSCI-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid (CID 82838620) is 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid is CC1CCC(CN2CCC(CCC(=O)O)C2)O1.
What is the InChIKey of 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is ICPGKJRERCMSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-2-4-12(17-10)9-14-7-6-11(8-14)3-5-13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid?
3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 82838620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).