2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H16F3NO2 — CID 79265892

IUPAC2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7-2-3-8(4-7)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyKDAVNCAXWCFKCV-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.12
Rot. Bonds4

About 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265892) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265892
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7-2-3-8(4-7)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyKDAVNCAXWCFKCV-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265892) is 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CCC(N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KDAVNCAXWCFKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7-2-3-8(4-7)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 239.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).