2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid

C14H14F3NO3 — CID 175838472

IUPAC2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCC(=O)N1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-4-2-1-3-9(11)8-18-10(7-13(20)21)5-6-12(18)19/h1-4,10H,5-8H2,(H,20,21)
InChIKeyGCVYEJMPNFRKGM-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.67
Rot. Bonds4

About 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid

2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 175838472) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid
PubChem CID175838472
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCC(=O)N1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-4-2-1-3-9(11)8-18-10(7-13(20)21)5-6-12(18)19/h1-4,10H,5-8H2,(H,20,21)
InChIKeyGCVYEJMPNFRKGM-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 66644833
(3S)-3-[[2-[(2S)-1-[(2-ethylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-methylhexanoic acid
CID 175838353
N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541804
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 66645103
(3R,4R)-3-[[2-[(2R)-1-[(2-ethylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-4-methylhexanoic acid
CID 166541532
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
(2S)-1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10823634
2-[(2S,4R)-2-[4-(trifluoromethyl)phenyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetic acid
CID 87448368
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
CID 172685270
5-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 167649381

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid (CID 175838472) is 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCC(=O)N1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is GCVYEJMPNFRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)11-4-2-1-3-9(11)8-18-10(7-13(20)21)5-6-12(18)19/h1-4,10H,5-8H2,(H,20,21).
What are the key properties of 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid?
2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 301.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 175838472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).