2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C11H17F3N2O3 — CID 79276946

IUPAC2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CCC)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-3-5-15(7-9(17)18)10(19)16(6-4-2)8-11(12,13)14/h3H,1,4-8H2,2H3,(H,17,18)
InChIKeyALRZXEHXLRHRJJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.95
Rot. Bonds7

About 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 79276946) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID79276946
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CCC)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-3-5-15(7-9(17)18)10(19)16(6-4-2)8-11(12,13)14/h3H,1,4-8H2,2H3,(H,17,18)
InChIKeyALRZXEHXLRHRJJ-UHFFFAOYSA-N
XLogP1.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 79276946) is 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is C=CCN(CC(=O)O)C(=O)N(CCC)CC(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is ALRZXEHXLRHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-3-5-15(7-9(17)18)10(19)16(6-4-2)8-11(12,13)14/h3H,1,4-8H2,2H3,(H,17,18).
What are the key properties of 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79276946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).