2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C11H19F3N2O3 — CID 55009907

IUPAC2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N2O3/c1-7(2)15(5-9(17)18)10(19)16(8(3)4)6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyRHJIMMLWMVSATC-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.17
Rot. Bonds5

About 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 55009907) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID55009907
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N2O3/c1-7(2)15(5-9(17)18)10(19)16(8(3)4)6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyRHJIMMLWMVSATC-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Tert-butyl-(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid
CID 176026042
2-[Cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 54978392
2-[Propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009471
2-[Cyclopropyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009518
2-[Ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009519
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
CID 55009611
2-[Methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009616
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009712
2-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009813
2-[Cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009858
2-[Cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009899
2-[Butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009900

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 55009907) is 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is RHJIMMLWMVSATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(2)15(5-9(17)18)10(19)16(8(3)4)6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55009907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).