2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid

C7H10F3NO3 — CID 61022478

IUPAC2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-2-11(4-6(13)14)5(12)3-7(8,9)10/h2-4H2,1H3,(H,13,14)
InChIKeyZPUDYWQRAOWYDH-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds4

About 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid

2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid (PubChem CID 61022478) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
PubChem CID61022478
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-2-11(4-6(13)14)5(12)3-7(8,9)10/h2-4H2,1H3,(H,13,14)
InChIKeyZPUDYWQRAOWYDH-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid (CID 61022478) is 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The InChIKey is ZPUDYWQRAOWYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-2-11(4-6(13)14)5(12)3-7(8,9)10/h2-4H2,1H3,(H,13,14).
What are the key properties of 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetic acid is sourced from PubChem (CID 61022478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).