3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid

C10H10FNO3 — CID 90937214

IUPAC3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid
SMILESCONC(=CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-15-12-9(6-10(13)14)7-2-4-8(11)5-3-7/h2-6,12H,1H3,(H,13,14)
InChIKeyIDQISLYZEZXISZ-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.40
Rot. Bonds4

About 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid

3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid (PubChem CID 90937214) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid
PubChem CID90937214
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid
SMILESCONC(=CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-15-12-9(6-10(13)14)7-2-4-8(11)5-3-7/h2-6,12H,1H3,(H,13,14)
InChIKeyIDQISLYZEZXISZ-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-methyl 3-amino-3-(4-fluorophenyl)acrylate
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2-Tert-butyl-4-fluoro-3-phenyl-1,2-oxazol-5-one
CID 102584210
Ethyl 3-amino-3-phenylprop-2-enoate
CID 312934
ethyl (E)-3-amino-3-phenylprop-2-enoate
CID 10797788
Methyl 3-amino-3-phenylacrylate
CID 12479377
beta-Aminocinnamic acid
CID 60104396
Ethyl 3-amino-3-(2-fluorophenyl)acrylate
CID 15407485
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
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CID 18441895

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid (CID 90937214) is 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid is CONC(=CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid?
The InChIKey is IDQISLYZEZXISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-15-12-9(6-10(13)14)7-2-4-8(11)5-3-7/h2-6,12H,1H3,(H,13,14).
What are the key properties of 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid?
3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid has a molecular weight of 211.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(methoxyamino)prop-2-enoic acid is sourced from PubChem (CID 90937214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).