2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H17F3N2O3 — CID 79799110

IUPAC2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNC(C)CC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-14-6(2)5-7(16)15-9(3,8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRVZADTKMAOFSBY-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.90
Rot. Bonds6

About 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79799110) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79799110
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNC(C)CC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-14-6(2)5-7(16)15-9(3,8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRVZADTKMAOFSBY-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79799110) is 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid is CCNC(C)CC(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is RVZADTKMAOFSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-14-6(2)5-7(16)15-9(3,8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79799110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).