2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

C7H10F3NO4 — CID 61171178

IUPAC2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c1-2-11(3-5(12)13)6(14)15-4-7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyKWWMFVFNFOZZCD-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.09
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (PubChem CID 61171178) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
PubChem CID61171178
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c1-2-11(3-5(12)13)6(14)15-4-7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyKWWMFVFNFOZZCD-UHFFFAOYSA-N
XLogP1.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((Tert-butoxycarbonyl)(2,2,2-trifluoroethyl)amino)acetic acid
CID 54593256
Glycine, N-acetyl-N-(trifluoroacetyl)-, methyl ester
CID 537572
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410
ethyl 2-(2,2,2-trifluoro-N-methylacetamido)acetate
CID 54595828
2-[(2-Methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 18683900
2-[(2-Ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 22089272
Methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 59882299
Carboxymethyl-dimethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]azanium
CID 130266543
Carboxymethyl-dimethyl-[(2,2,2-trifluoroacetyl)oxymethyl]azanium
CID 130266786
2-[(2-Methylpropan-2-yl)oxycarbonyl-(1,2,2-trifluoroethyl)amino]acetic acid
CID 134229601
2-[(2-Methylpropan-2-yl)oxycarbonyl-(1,1,2-trifluoroethyl)amino]acetic acid
CID 140841561
2-[1-Fluoroethoxycarbonyl(formyl)amino]acetic acid
CID 153541416

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (CID 61171178) is 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)OCC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The InChIKey is KWWMFVFNFOZZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c1-2-11(3-5(12)13)6(14)15-4-7(8,9)10/h2-4H2,1H3,(H,12,13).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid has a molecular weight of 229.15 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 61171178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).