3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid

C14H17F3N2O2 — CID 107320624

IUPAC3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1C(F)(F)F)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H17F3N2O2/c1-9(19-7-6-13(18,8-19)12(20)21)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8,18H2,1H3,(H,20,21)
InChIKeyIFGKYBBSRNIXKR-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.25
Rot. Bonds3

About 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107320624) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
PubChem CID107320624
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1C(F)(F)F)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H17F3N2O2/c1-9(19-7-6-13(18,8-19)12(20)21)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8,18H2,1H3,(H,20,21)
InChIKeyIFGKYBBSRNIXKR-UHFFFAOYSA-N
XLogP2.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid (CID 107320624) is 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid is CC(c1ccccc1C(F)(F)F)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IFGKYBBSRNIXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(19-7-6-13(18,8-19)12(20)21)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8,18H2,1H3,(H,20,21).
What are the key properties of 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107320624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).