2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid

C10H15F3N2O3 — CID 79276248

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-3-5-15(6-8(16)17)9(18)14(4-2)7-10(11,12)13/h3H,1,4-7H2,2H3,(H,16,17)
InChIKeyFUWUPKFWCBLDQN-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.56
Rot. Bonds6

About 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid

2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79276248) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid
PubChem CID79276248
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-3-5-15(6-8(16)17)9(18)14(4-2)7-10(11,12)13/h3H,1,4-7H2,2H3,(H,16,17)
InChIKeyFUWUPKFWCBLDQN-UHFFFAOYSA-N
XLogP1.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.56
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-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid (CID 79276248) is 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(CC)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is FUWUPKFWCBLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-3-5-15(6-8(16)17)9(18)14(4-2)7-10(11,12)13/h3H,1,4-7H2,2H3,(H,16,17).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid?
2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).