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

C11H15F3N2O3 — CID 79258449

IUPAC2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESC=CCN(CC=C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-3-5-15(6-4-2)10(19)16(7-9(17)18)8-11(12,13)14/h3-4H,1-2,5-8H2,(H,17,18)
InChIKeyVNIUDNFKWMPWDN-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.73
Rot. Bonds7

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

2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258449) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258449
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESC=CCN(CC=C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-3-5-15(6-4-2)10(19)16(7-9(17)18)8-11(12,13)14/h3-4H,1-2,5-8H2,(H,17,18)
InChIKeyVNIUDNFKWMPWDN-UHFFFAOYSA-N
XLogP1.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.73
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-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258449) is 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is C=CCN(CC=C)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VNIUDNFKWMPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-3-5-15(6-4-2)10(19)16(7-9(17)18)8-11(12,13)14/h3-4H,1-2,5-8H2,(H,17,18).
What are the key properties of 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 280.25 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).