(2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid

C14H15F3N2O4 — CID 67741287

IUPAC(2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-2-1-3-8(9)6-19-7-13(18,12(22)23)5-10(19)11(20)21/h1-4,10H,5-7,18H2,(H,20,21)(H,22,23)/t10-,13-/m1/s1
InChIKeyCOPJMVFPQAUBOY-ZWNOBZJWSA-N
MW332.28 g/mol
LogP1.15
Rot. Bonds4

About (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid

(2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid (PubChem CID 67741287) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
PubChem CID67741287
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name(2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-2-1-3-8(9)6-19-7-13(18,12(22)23)5-10(19)11(20)21/h1-4,10H,5-7,18H2,(H,20,21)(H,22,23)/t10-,13-/m1/s1
InChIKeyCOPJMVFPQAUBOY-ZWNOBZJWSA-N
XLogP1.15
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid (CID 67741287) is (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid is N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is COPJMVFPQAUBOY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-2-1-3-8(9)6-19-7-13(18,12(22)23)5-10(19)11(20)21/h1-4,10H,5-7,18H2,(H,20,21)(H,22,23)/t10-,13-/m1/s1.
What are the key properties of (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 67741287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).