3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid

C10H17NO3 — CID 62271732

IUPAC3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCCC2)CCOC1
InChIInChI=1S/C10H17NO3/c12-9(13)10(3-6-14-8-10)7-11-4-1-2-5-11/h1-8H2,(H,12,13)
InChIKeyMAAWLJODXFNSHY-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.57
Rot. Bonds3

About 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid

3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid (PubChem CID 62271732) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid
PubChem CID62271732
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCCC2)CCOC1
InChIInChI=1S/C10H17NO3/c12-9(13)10(3-6-14-8-10)7-11-4-1-2-5-11/h1-8H2,(H,12,13)
InChIKeyMAAWLJODXFNSHY-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid (CID 62271732) is 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid is O=C(O)C1(CN2CCCC2)CCOC1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid?
The InChIKey is MAAWLJODXFNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(13)10(3-6-14-8-10)7-11-4-1-2-5-11/h1-8H2,(H,12,13).
What are the key properties of 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid?
3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 62271732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).