3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid

C14H19NO4 — CID 82321773

IUPAC3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
SMILESCCc1ccc(N(CCC(=O)O)C(=O)COC)cc1
InChIInChI=1S/C14H19NO4/c1-3-11-4-6-12(7-5-11)15(9-8-14(17)18)13(16)10-19-2/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyOZDSDKILNMHSGG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds7

About 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid

3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid (PubChem CID 82321773) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
PubChem CID82321773
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
SMILESCCc1ccc(N(CCC(=O)O)C(=O)COC)cc1
InChIInChI=1S/C14H19NO4/c1-3-11-4-6-12(7-5-11)15(9-8-14(17)18)13(16)10-19-2/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyOZDSDKILNMHSGG-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(diethylamino)-N-(2-methoxyacetyl)anilino]propanoic acid
CID 95534693
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321758
3-(4-ethyl-N-pentanoylanilino)propanoic acid
CID 82320880
3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321782
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
3-(4-methyl-N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 115949224
3-(4-butyl-N-propanoylanilino)propanoic acid
CID 82320587
3-[N-(2-methoxyacetyl)-3-(trifluoromethyl)anilino]propanoic acid
CID 82321756
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
2-(4-ethyl-N-propanoylanilino)acetic acid
CID 28766085
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid?
The IUPAC name of 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid (CID 82321773) is 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid?
The canonical SMILES for 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid is CCc1ccc(N(CCC(=O)O)C(=O)COC)cc1.
What is the InChIKey of 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid?
The InChIKey is OZDSDKILNMHSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-11-4-6-12(7-5-11)15(9-8-14(17)18)13(16)10-19-2/h4-7H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid?
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid is sourced from PubChem (CID 82321773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).