4-(methoxyamino)-4-phenylbut-3-enoic acid

C11H13NO3 — CID 57132656

IUPAC4-(methoxyamino)-4-phenylbut-3-enoic acid
SMILESCONC(=CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-15-12-10(7-8-11(13)14)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyFRBSIROILSBLES-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.65
Rot. Bonds5

About 4-(methoxyamino)-4-phenylbut-3-enoic acid

4-(methoxyamino)-4-phenylbut-3-enoic acid (PubChem CID 57132656) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(methoxyamino)-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name4-(methoxyamino)-4-phenylbut-3-enoic acid
PubChem CID57132656
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(methoxyamino)-4-phenylbut-3-enoic acid
SMILESCONC(=CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-15-12-10(7-8-11(13)14)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyFRBSIROILSBLES-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-4-methyl-5-hydroxy-isoxazole
CID 576162
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
3-(4-Fluorophenyl)-3-(methoxyamino)prop-2-enoic acid
CID 90937214
(2E,3Z,5E)-6-amino-2-ethylidene-5-fluoro-6-phenylhexa-3,5-dienoic acid
CID 126672571
3-(Benzylamino)oxypropanoic acid
CID 10058491
(Benzylamino) acetate
CID 12482310
(E)-4-(4-aminophenyl)but-3-enoic acid
CID 18403465
5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
3-(Benzylamino)oxy-2,2-dimethylpropanoic acid
CID 20029230
(Benzylamino) propanoate
CID 22069237

Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-4-phenylbut-3-enoic acid?
The IUPAC name of 4-(methoxyamino)-4-phenylbut-3-enoic acid (CID 57132656) is 4-(methoxyamino)-4-phenylbut-3-enoic acid.
What is the SMILES notation for 4-(methoxyamino)-4-phenylbut-3-enoic acid?
The canonical SMILES for 4-(methoxyamino)-4-phenylbut-3-enoic acid is CONC(=CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(methoxyamino)-4-phenylbut-3-enoic acid?
The InChIKey is FRBSIROILSBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-12-10(7-8-11(13)14)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,13,14).
What are the key properties of 4-(methoxyamino)-4-phenylbut-3-enoic acid?
4-(methoxyamino)-4-phenylbut-3-enoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyamino)-4-phenylbut-3-enoic acid is sourced from PubChem (CID 57132656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).