2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid

C18H18FNO3 — CID 58218740

IUPAC2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c19-16-5-1-2-6-17(16)23-15-9-7-13(8-10-15)20-11-3-4-14(20)12-18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyMUVUKFHEBUJNEF-AWEZNQCLSA-N
MW315.34 g/mol
LogP4.06
Rot. Bonds5

About 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid

2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid (PubChem CID 58218740) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
PubChem CID58218740
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c19-16-5-1-2-6-17(16)23-15-9-7-13(8-10-15)20-11-3-4-14(20)12-18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyMUVUKFHEBUJNEF-AWEZNQCLSA-N
XLogP4.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid (CID 58218740) is 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid is O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is MUVUKFHEBUJNEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-16-5-1-2-6-17(16)23-15-9-7-13(8-10-15)20-11-3-4-14(20)12-18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 315.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 58218740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).