2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H15F3N2O3 — CID 79258845

IUPAC2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESC=CCNC(=O)C(C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-3-4-14-9(18)7(2)15(5-8(16)17)6-10(11,12)13/h3,7H,1,4-6H2,2H3,(H,14,18)(H,16,17)
InChIKeyQUZXSJJLEMZXQP-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.63
Rot. Bonds7

About 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258845) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258845
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESC=CCNC(=O)C(C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-3-4-14-9(18)7(2)15(5-8(16)17)6-10(11,12)13/h3,7H,1,4-6H2,2H3,(H,14,18)(H,16,17)
InChIKeyQUZXSJJLEMZXQP-UHFFFAOYSA-N
XLogP0.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258845) is 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid is C=CCNC(=O)C(C)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QUZXSJJLEMZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-3-4-14-9(18)7(2)15(5-8(16)17)6-10(11,12)13/h3,7H,1,4-6H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).