2-(3-phenylpyrrolidin-3-yl)oxyacetic acid

C12H15NO3 — CID 69238131

IUPAC2-(3-phenylpyrrolidin-3-yl)oxyacetic acid
SMILESO=C(O)COC1(c2ccccc2)CCNC1
InChIInChI=1S/C12H15NO3/c14-11(15)8-16-12(6-7-13-9-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKeySIMZSYVWYGHFNZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.98
Rot. Bonds4

About 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid

2-(3-phenylpyrrolidin-3-yl)oxyacetic acid (PubChem CID 69238131) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-3-yl)oxyacetic acid
PubChem CID69238131
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-phenylpyrrolidin-3-yl)oxyacetic acid
SMILESO=C(O)COC1(c2ccccc2)CCNC1
InChIInChI=1S/C12H15NO3/c14-11(15)8-16-12(6-7-13-9-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKeySIMZSYVWYGHFNZ-UHFFFAOYSA-N
XLogP0.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid (CID 69238131) is 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid is O=C(O)COC1(c2ccccc2)CCNC1.
What is the InChIKey of 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid?
The InChIKey is SIMZSYVWYGHFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(15)8-16-12(6-7-13-9-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15).
What are the key properties of 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid?
2-(3-phenylpyrrolidin-3-yl)oxyacetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-3-yl)oxyacetic acid is sourced from PubChem (CID 69238131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).