2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid

C14H16F3NO3 — CID 117238349

IUPAC2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1cccc(C(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)10-2-1-3-11(6-10)21-8-12(13(19)20)9-4-5-18-7-9/h1-3,6,9,12,18H,4-5,7-8H2,(H,19,20)
InChIKeyORZRMSYPFUVOAV-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.39
Rot. Bonds5

About 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid

2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid (PubChem CID 117238349) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
PubChem CID117238349
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1cccc(C(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)10-2-1-3-11(6-10)21-8-12(13(19)20)9-4-5-18-7-9/h1-3,6,9,12,18H,4-5,7-8H2,(H,19,20)
InChIKeyORZRMSYPFUVOAV-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117245508
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
(2S)-2-[(3R)-pyrrolidin-3-yl]-3-[3-[3-(2,2,2-trifluoroethoxy)phenyl]phenyl]propanoic acid
CID 170085675
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
(3S)-3-[(1R)-2-propan-2-yloxy-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66859167
(3S)-3-[(1S)-2-methylsulfanyl-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66860712
3-[3-[2-[3-[2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenoxy]ethoxy]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 155369482
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperidine-3-carboxamide
CID 119304982
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane
CID 142194055

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The IUPAC name of 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid (CID 117238349) is 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid is O=C(O)C(COc1cccc(C(F)(F)F)c1)C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The InChIKey is ORZRMSYPFUVOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)10-2-1-3-11(6-10)21-8-12(13(19)20)9-4-5-18-7-9/h1-3,6,9,12,18H,4-5,7-8H2,(H,19,20).
What are the key properties of 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid is sourced from PubChem (CID 117238349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).