5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

C16H21NO3 — CID 62298901

IUPAC5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCC(c3ccccc3)C2)O1
InChIInChI=1S/C16H21NO3/c18-16(19)15-7-6-14(20-15)11-17-9-8-13(10-17)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,19)
InChIKeyWRHNZYKJYULKGX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.11
Rot. Bonds4

About 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62298901) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62298901
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCC(c3ccccc3)C2)O1
InChIInChI=1S/C16H21NO3/c18-16(19)15-7-6-14(20-15)11-17-9-8-13(10-17)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,19)
InChIKeyWRHNZYKJYULKGX-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (CID 62298901) is 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CN2CCC(c3ccccc3)C2)O1.
What is the InChIKey of 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is WRHNZYKJYULKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(19)15-7-6-14(20-15)11-17-9-8-13(10-17)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,19).
What are the key properties of 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62298901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).