methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate

C10H14F3NO3 — CID 162574276

IUPACmethyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate
SMILESCC/C(=C\C(=O)N(C)CC(=O)OC)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-4-7(10(11,12)13)5-8(15)14(2)6-9(16)17-3/h5H,4,6H2,1-3H3/b7-5+
InChIKeyGDVCCPNSTYQMII-FNORWQNLSA-N
MW253.22 g/mol
LogP1.52
Rot. Bonds4

About methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate

methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate (PubChem CID 162574276) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate
PubChem CID162574276
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Namemethyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate
SMILESCC/C(=C\C(=O)N(C)CC(=O)OC)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-4-7(10(11,12)13)5-8(15)14(2)6-9(16)17-3/h5H,4,6H2,1-3H3/b7-5+
InChIKeyGDVCCPNSTYQMII-FNORWQNLSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]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

methyl (2S)-1-acetyl-4-(trifluoromethyl)-2,5-dihydropyrrole-2-carboxylate
CID 178411123
methyl 2-[methyl-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]amino]acetate
CID 89976474
Methyl 2-[2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetate
CID 141123847
Butyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 55027486
Methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 60354053
Ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 60643142
2-[2-Methylpent-2-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990291
2-[3-Methylbut-2-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990577
Ethyl 2-fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 81296594
2-Methylpropyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 84313929
Propyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 84314089
Methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 84314128

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate (CID 162574276) is methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate is CC/C(=C\C(=O)N(C)CC(=O)OC)C(F)(F)F.
What is the InChIKey of methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate?
The InChIKey is GDVCCPNSTYQMII-FNORWQNLSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-4-7(10(11,12)13)5-8(15)14(2)6-9(16)17-3/h5H,4,6H2,1-3H3/b7-5+.
What are the key properties of methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate?
methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate has a molecular weight of 253.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate is sourced from PubChem (CID 162574276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).