methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate

C21H24FNO2 — CID 54365030

IUPACmethyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate
SMILESCOC(=O)C(N)CC=C(c1ccc(C(C)C)cc1)c1ccccc1F
InChIInChI=1S/C21H24FNO2/c1-14(2)15-8-10-16(11-9-15)17(12-13-20(23)21(24)25-3)18-6-4-5-7-19(18)22/h4-12,14,20H,13,23H2,1-3H3
InChIKeyUPEQMDQIHFDEBN-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.27
Rot. Bonds6

About methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate

methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate (PubChem CID 54365030) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate
PubChem CID54365030
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Namemethyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate
SMILESCOC(=O)C(N)CC=C(c1ccc(C(C)C)cc1)c1ccccc1F
InChIInChI=1S/C21H24FNO2/c1-14(2)15-8-10-16(11-9-15)17(12-13-20(23)21(24)25-3)18-6-4-5-7-19(18)22/h4-12,14,20H,13,23H2,1-3H3
InChIKeyUPEQMDQIHFDEBN-UHFFFAOYSA-N
XLogP4.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate?
The IUPAC name of methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate (CID 54365030) is methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate.
What is the SMILES notation for methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate?
The canonical SMILES for methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate is COC(=O)C(N)CC=C(c1ccc(C(C)C)cc1)c1ccccc1F.
What is the InChIKey of methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate?
The InChIKey is UPEQMDQIHFDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-14(2)15-8-10-16(11-9-15)17(12-13-20(23)21(24)25-3)18-6-4-5-7-19(18)22/h4-12,14,20H,13,23H2,1-3H3.
What are the key properties of methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate?
methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate has a molecular weight of 341.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate is sourced from PubChem (CID 54365030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).