3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid

C9H15F3N2O4 — CID 103263905

IUPAC3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid
SMILESCOCCNC(=O)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-18-3-2-14-7(15)5-13-4-6(8(16)17)9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZFEFEIZAMSDNHR-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.40
Rot. Bonds8

About 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid (PubChem CID 103263905) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid
PubChem CID103263905
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid
SMILESCOCCNC(=O)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-18-3-2-14-7(15)5-13-4-6(8(16)17)9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZFEFEIZAMSDNHR-UHFFFAOYSA-N
XLogP-0.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 63298890
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
CID 119727737
6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289318
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-(2-methoxyethyl)-2-(2-propoxyethylamino)acetamide
CID 106452448
2-(hexylamino)-N-(2-methoxyethyl)acetamide
CID 60649576

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid (CID 103263905) is 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid is COCCNC(=O)CNCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid?
The InChIKey is ZFEFEIZAMSDNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4/c1-18-3-2-14-7(15)5-13-4-6(8(16)17)9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid has a molecular weight of 272.22 g/mol, XLogP of -0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid is sourced from PubChem (CID 103263905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).