2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C7H10F3NO3 — CID 106523377

IUPAC2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCN(C=O)C(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-11(4-12)6(2,5(13)14)7(8,9)10/h4H,3H2,1-2H3,(H,13,14)
InChIKeyMTGJXQONKHUYAM-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds4

About 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 106523377) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID106523377
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCN(C=O)C(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-11(4-12)6(2,5(13)14)7(8,9)10/h4H,3H2,1-2H3,(H,13,14)
InChIKeyMTGJXQONKHUYAM-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61343842
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
2-[Formyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 89255481
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554
(2S)-2-[tert-butyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 175750220
2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanoic acid
CID 61609867
2-[Methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 62626698
2-[Ethyl(2,2,2-trifluoroethoxycarbonyl)amino]-2-methylpropanoic acid
CID 62818167
2-(N-ethyl-2,2,2-trifluoroacetamido)-2-methylpropanoic acid
CID 62818963
2-methyl-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62819559

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 106523377) is 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCN(C=O)C(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is MTGJXQONKHUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-3-11(4-12)6(2,5(13)14)7(8,9)10/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 106523377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).