2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid

C7H10F3NO3 — CID 61007367

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

About 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid

2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 61007367) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID61007367
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-2-3-11(4-5(12)13)6(14)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyDVIKRYIGGXXXMM-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-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 61007367) is 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is DVIKRYIGGXXXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-2-3-11(4-5(12)13)6(14)7(8,9)10/h2-4H2,1H3,(H,12,13).
What are the key properties of 2-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[propyl-(2,2,2-trifluoroacetyl)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-[propyl-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 61007367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).