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

C10H16F3NO3 — CID 106824425

IUPAC2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC1CC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-2-17-8-3-7(4-8)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeySYHDESMSZKHHAB-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds6

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

2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106824425) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106824425
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC1CC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-2-17-8-3-7(4-8)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeySYHDESMSZKHHAB-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 106824425) is 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCOC1CC(N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SYHDESMSZKHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-17-8-3-7(4-8)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-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycyclobutyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106824425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).