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

C11H19F3N2O3 — CID 55009471

IUPAC2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H19F3N2O3/c1-4-5-15(7-11(12,13)14)10(19)16(8(2)3)6-9(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyVQXKOLYHVIMWFS-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.18
Rot. Bonds6

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

2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 55009471) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID55009471
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H19F3N2O3/c1-4-5-15(7-11(12,13)14)10(19)16(8(2)3)6-9(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyVQXKOLYHVIMWFS-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 55009471) is 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CCCN(CC(F)(F)F)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is VQXKOLYHVIMWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-5-15(7-11(12,13)14)10(19)16(8(2)3)6-9(17)18/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55009471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).