2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid

C8H11F3N2O3 — CID 18928302

IUPAC2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)6(14)12-4-5-2-1-3-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyGDHCBSZXTCMYTC-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.81
Rot. Bonds2

About 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid

2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid (PubChem CID 18928302) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
PubChem CID18928302
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)6(14)12-4-5-2-1-3-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyGDHCBSZXTCMYTC-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid (CID 18928302) is 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1CNC(=O)C(F)(F)F.
What is the InChIKey of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is GDHCBSZXTCMYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)6(14)12-4-5-2-1-3-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid?
2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 240.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 18928302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).