ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate

C7H10F3NO3 — CID 155330526

IUPACethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
SMILESCCOC(=O)C(=O)NC(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-6(13)5(12)11-4(2)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)
InChIKeyUBQIZJXXGXPEOW-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.62
Rot. Bonds2

About ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate

ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate (PubChem CID 155330526) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
PubChem CID155330526
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
SMILESCCOC(=O)C(=O)NC(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-6(13)5(12)11-4(2)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)
InChIKeyUBQIZJXXGXPEOW-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
diethyl 2,3-bis(1,1,1-trifluoropropan-2-yl)but-2-enedioate
CID 173178621
2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid
CID 122513396
ethyl 2-oxo-2-(1,2,2-trifluoroethylamino)acetate
CID 175476798
ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
CID 106295297
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
CID 65048237
ethyl 4,4,4-trifluoro-3-hydroxy-2-sulfanylidenebutanoate
CID 123697516
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 131998274
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate (CID 155330526) is ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate is CCOC(=O)C(=O)NC(C)C(F)(F)F.
What is the InChIKey of ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate?
The InChIKey is UBQIZJXXGXPEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-3-14-6(13)5(12)11-4(2)7(8,9)10/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate?
ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate has a molecular weight of 213.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate is sourced from PubChem (CID 155330526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).