2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid

C10H15F3N2O4 — CID 174763344

IUPAC2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid
SMILESCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-5(2)8(9(19)14-4-7(17)18)15(6(3)16)10(11,12)13/h5,8H,4H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyGDENMOQTDJOQJK-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.58
Rot. Bonds5

About 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid

2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid (PubChem CID 174763344) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid
PubChem CID174763344
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid
SMILESCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-5(2)8(9(19)14-4-7(17)18)15(6(3)16)10(11,12)13/h5,8H,4H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyGDENMOQTDJOQJK-UHFFFAOYSA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid (CID 174763344) is 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid is CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)C(F)(F)F.
What is the InChIKey of 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid?
The InChIKey is GDENMOQTDJOQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-5(2)8(9(19)14-4-7(17)18)15(6(3)16)10(11,12)13/h5,8H,4H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid?
2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid is sourced from PubChem (CID 174763344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).