4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid

C14H15NO3S — CID 43379865

IUPAC4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid
SMILESCCc1ccc(COc2cc(C(=O)O)ccc2N)s1
InChIInChI=1S/C14H15NO3S/c1-2-10-4-5-11(19-10)8-18-13-7-9(14(16)17)3-6-12(13)15/h3-7H,2,8,15H2,1H3,(H,16,17)
InChIKeyZIOAFNYSBSILAL-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.17
Rot. Bonds5

About 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid

4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid (PubChem CID 43379865) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid
PubChem CID43379865
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid
SMILESCCc1ccc(COc2cc(C(=O)O)ccc2N)s1
InChIInChI=1S/C14H15NO3S/c1-2-10-4-5-11(19-10)8-18-13-7-9(14(16)17)3-6-12(13)15/h3-7H,2,8,15H2,1H3,(H,16,17)
InChIKeyZIOAFNYSBSILAL-UHFFFAOYSA-N
XLogP3.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
CID 61312810
4-amino-3-(carboxymethoxy)benzoic acid
CID 11310358
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927
4-amino-3-(2-carboxy-2-methylpropoxy)benzoic acid
CID 79621403
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-amino-3-(4,4-dimethylpentoxy)benzoic acid
CID 114209628
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-amino-3-(3-amino-3-oxopropoxy)benzoic acid
CID 43379838
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107044786
1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116547328

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid (CID 43379865) is 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid is CCc1ccc(COc2cc(C(=O)O)ccc2N)s1.
What is the InChIKey of 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid?
The InChIKey is ZIOAFNYSBSILAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-10-4-5-11(19-10)8-18-13-7-9(14(16)17)3-6-12(13)15/h3-7H,2,8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid?
4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid has a molecular weight of 277.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 43379865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).