2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid

C23H24FNO2 — CID 10155727

IUPAC2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
SMILESCC(C)c1ccc(C#C/C(=C/CN(C)CC(=O)O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H24FNO2/c1-17(2)19-10-7-18(8-11-19)9-12-20(13-14-25(3)16-23(26)27)21-5-4-6-22(24)15-21/h4-8,10-11,13,15,17H,14,16H2,1-3H3,(H,26,27)/b20-13-
InChIKeyAUDHXIZUJLUWPV-MOSHPQCFSA-N
MW365.45 g/mol
LogP4.40
Rot. Bonds6

About 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid

2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid (PubChem CID 10155727) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
PubChem CID10155727
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Name2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
SMILESCC(C)c1ccc(C#C/C(=C/CN(C)CC(=O)O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H24FNO2/c1-17(2)19-10-7-18(8-11-19)9-12-20(13-14-25(3)16-23(26)27)21-5-4-6-22(24)15-21/h4-8,10-11,13,15,17H,14,16H2,1-3H3,(H,26,27)/b20-13-
InChIKeyAUDHXIZUJLUWPV-MOSHPQCFSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid 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

Lithium 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
CID 44303910
2-[[(E)-5-(4-fluorophenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 9797289
2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid
CID 9797701
2-[[(E)-5-(2-fluorophenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 9840181
2-[[(E)-5-[3,5-bis(trifluoromethyl)phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 9846127
2-[[(E)-5-(2,4-difluorophenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 9862809
2-[methyl-[(E)-3-phenyl-5-[4-(trifluoromethyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid
CID 9885859
2-[[(Z)-3-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 9925336
2-[methyl-[(E)-5-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid
CID 10112530
2-[[(Z)-5-(4-tert-butylphenyl)-3-(2-fluorophenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 10134328
2-[[(E)-3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 10270203
2-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
CID 19992291

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid (CID 10155727) is 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid is CC(C)c1ccc(C#C/C(=C/CN(C)CC(=O)O)c2cccc(F)c2)cc1.
What is the InChIKey of 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid?
The InChIKey is AUDHXIZUJLUWPV-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-17(2)19-10-7-18(8-11-19)9-12-20(13-14-25(3)16-23(26)27)21-5-4-6-22(24)15-21/h4-8,10-11,13,15,17H,14,16H2,1-3H3,(H,26,27)/b20-13-.
What are the key properties of 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid?
2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid has a molecular weight of 365.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(3-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid is sourced from PubChem (CID 10155727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).