methyl 2-amino-2-(4-fluorophenyl)non-8-enoate

C16H22FNO2 — CID 66915424

IUPACmethyl 2-amino-2-(4-fluorophenyl)non-8-enoate
SMILESC=CCCCCCC(N)(C(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-3-4-5-6-7-12-16(18,15(19)20-2)13-8-10-14(17)11-9-13/h3,8-11H,1,4-7,12,18H2,2H3
InChIKeyZXGZBWDBBGGFIC-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.29
Rot. Bonds8

About methyl 2-amino-2-(4-fluorophenyl)non-8-enoate

methyl 2-amino-2-(4-fluorophenyl)non-8-enoate (PubChem CID 66915424) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-amino-2-(4-fluorophenyl)non-8-enoate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-fluorophenyl)non-8-enoate
PubChem CID66915424
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Namemethyl 2-amino-2-(4-fluorophenyl)non-8-enoate
SMILESC=CCCCCCC(N)(C(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-3-4-5-6-7-12-16(18,15(19)20-2)13-8-10-14(17)11-9-13/h3,8-11H,1,4-7,12,18H2,2H3
InChIKeyZXGZBWDBBGGFIC-UHFFFAOYSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-2-methylnon-8-enoate
CID 146260741
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
CID 86811738
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
2-(4-fluoroanilino)-2-methylhex-5-enamide
CID 104655903
methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate
CID 105490299
methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322
diethyl 2-(4-fluorophenyl)-2-prop-2-enylpropanedioate
CID 103973170
methyl 2-ethyl-3-oxo-2-phenyltridec-12-enoate
CID 12003354

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-fluorophenyl)non-8-enoate?
The IUPAC name of methyl 2-amino-2-(4-fluorophenyl)non-8-enoate (CID 66915424) is methyl 2-amino-2-(4-fluorophenyl)non-8-enoate.
What is the SMILES notation for methyl 2-amino-2-(4-fluorophenyl)non-8-enoate?
The canonical SMILES for methyl 2-amino-2-(4-fluorophenyl)non-8-enoate is C=CCCCCCC(N)(C(=O)OC)c1ccc(F)cc1.
What is the InChIKey of methyl 2-amino-2-(4-fluorophenyl)non-8-enoate?
The InChIKey is ZXGZBWDBBGGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-4-5-6-7-12-16(18,15(19)20-2)13-8-10-14(17)11-9-13/h3,8-11H,1,4-7,12,18H2,2H3.
What are the key properties of methyl 2-amino-2-(4-fluorophenyl)non-8-enoate?
methyl 2-amino-2-(4-fluorophenyl)non-8-enoate has a molecular weight of 279.36 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-fluorophenyl)non-8-enoate is sourced from PubChem (CID 66915424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).