(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid

C13H12F3NO4 — CID 66645103

IUPAC(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)21-10-4-2-1-3-8(10)7-17-9(12(19)20)5-6-11(17)18/h1-4,9H,5-7H2,(H,19,20)/t9-/m1/s1
InChIKeyNQVIPZJHQGHFCS-SECBINFHSA-N
MW303.24 g/mol
LogP2.16
Rot. Bonds4

About (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid

(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 66645103) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID66645103
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)21-10-4-2-1-3-8(10)7-17-9(12(19)20)5-6-11(17)18/h1-4,9H,5-7H2,(H,19,20)/t9-/m1/s1
InChIKeyNQVIPZJHQGHFCS-SECBINFHSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 56766019
1-[(3-cyano-2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107118635
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 65065655
1-[(5-bromo-2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62875502
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 42164350
1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 67094985
ethyl (2R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 66644833
2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
CID 87152821
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874011
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 66645103) is (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCC(=O)N1Cc1ccccc1OC(F)(F)F.
What is the InChIKey of (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NQVIPZJHQGHFCS-SECBINFHSA-N. The full InChI is InChI=1S/C13H12F3NO4/c14-13(15,16)21-10-4-2-1-3-8(10)7-17-9(12(19)20)5-6-11(17)18/h1-4,9H,5-7H2,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 303.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66645103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).