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

C11H17F3N2O3 — CID 114111608

IUPAC2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)(NC(=O)N(CC(=O)O)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-10(2,7-3-4-7)15-9(19)16(5-8(17)18)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYXGDSYPAAAPMQA-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.83
Rot. Bonds5

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

2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114111608) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114111608
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)(NC(=O)N(CC(=O)O)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-10(2,7-3-4-7)15-9(19)16(5-8(17)18)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYXGDSYPAAAPMQA-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 114111608) is 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)(NC(=O)N(CC(=O)O)CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YXGDSYPAAAPMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(2,7-3-4-7)15-9(19)16(5-8(17)18)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114111608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).