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

C11H19F3N2O3 — CID 106330652

IUPAC2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)(CC)NC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-10(3,5-2)15-9(19)16(6-8(17)18)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyPBOYJTULNUVPLT-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.22
Rot. Bonds6

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

2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106330652) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106330652
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)(CC)NC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-10(3,5-2)15-9(19)16(6-8(17)18)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyPBOYJTULNUVPLT-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 106330652) is 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CCC(C)(CC)NC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PBOYJTULNUVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-10(3,5-2)15-9(19)16(6-8(17)18)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylpentan-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106330652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).