2-ethoxyimino-3-phenylpropanoic acid

C11H13NO3 — CID 74377633

IUPAC2-ethoxyimino-3-phenylpropanoic acid
SMILESCCON=C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-2-15-12-10(11(13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyZHBFBCSXZOUCPV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.71
Rot. Bonds5

About 2-ethoxyimino-3-phenylpropanoic acid

2-ethoxyimino-3-phenylpropanoic acid (PubChem CID 74377633) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-ethoxyimino-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-ethoxyimino-3-phenylpropanoic acid
PubChem CID74377633
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-ethoxyimino-3-phenylpropanoic acid
SMILESCCON=C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-2-15-12-10(11(13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyZHBFBCSXZOUCPV-UHFFFAOYSA-N
XLogP1.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethoxyimino-3-phenylpropanoic 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

2-methoxyimino-3-phenylpropanamide
CID 139885002
ethyl 2-phenylacetate
CID 7590
2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 53394940
ethyl 2-phenylacetate;hydrate
CID 141257001
2-[(Z)-1-phenylbutan-2-ylideneamino]oxyacetic acid
CID 79007723
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
(2E)-3-(5-bromo-1H-indol-3-yl)-2-phenylmethoxyiminopropanoic acid
CID 71513099
3-(4-chlorophenyl)-2-phenylmethoxycarbonyliminopropanoic acid
CID 91114768
(2-phenylacetyl) propanoate
CID 91029268
3-ethoxy-3-methyl-1-phenylpentan-2-one
CID 116746963
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoic acid
CID 86589768

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyimino-3-phenylpropanoic acid?
The IUPAC name of 2-ethoxyimino-3-phenylpropanoic acid (CID 74377633) is 2-ethoxyimino-3-phenylpropanoic acid.
What is the SMILES notation for 2-ethoxyimino-3-phenylpropanoic acid?
The canonical SMILES for 2-ethoxyimino-3-phenylpropanoic acid is CCON=C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-ethoxyimino-3-phenylpropanoic acid?
The InChIKey is ZHBFBCSXZOUCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-12-10(11(13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14).
What are the key properties of 2-ethoxyimino-3-phenylpropanoic acid?
2-ethoxyimino-3-phenylpropanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyimino-3-phenylpropanoic acid is sourced from PubChem (CID 74377633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).