3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid

C14H19NO4 — CID 114120000

IUPAC3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid
SMILESCOC1CC(NCCOc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H19NO4/c1-18-13-8-11(9-13)15-5-6-19-12-4-2-3-10(7-12)14(16)17/h2-4,7,11,13,15H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyVOOXODPORUUMST-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.53
Rot. Bonds7

About 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid

3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid (PubChem CID 114120000) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid
PubChem CID114120000
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid
SMILESCOC1CC(NCCOc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H19NO4/c1-18-13-8-11(9-13)15-5-6-19-12-4-2-3-10(7-12)14(16)17/h2-4,7,11,13,15H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyVOOXODPORUUMST-UHFFFAOYSA-N
XLogP1.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3-hydroxycyclobutyl)amino]ethoxy]benzoic acid
CID 103255893
3-[2-[(4-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103233999
3-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethoxy]benzoic acid
CID 103256699
3-[2-[[(3R)-thian-3-yl]amino]ethoxy]benzoic acid
CID 124681406
3-[2-[(2,6-dimethylpiperidin-1-yl)amino]ethoxy]benzoic acid
CID 103261089
3-[2-[(2-hydroxycyclohexyl)amino]ethoxy]benzoic acid
CID 103249841
3-[2-(propylamino)ethoxy]benzoic acid
CID 103235092
3-[2-[[(1S)-1-cyclopentylethyl]amino]ethoxy]benzoic acid
CID 103259942
3-[2-(4-methoxyanilino)ethoxy]benzoic acid
CID 103234904
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
3-[2-[[(2R)-2-cyclohexyl-2-hydroxyacetyl]amino]ethoxy]benzoic acid
CID 91776870
3-[2-[(2-oxopiperidin-3-yl)amino]ethoxy]benzoic acid
CID 103248577

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid?
The IUPAC name of 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid (CID 114120000) is 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid is COC1CC(NCCOc2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid?
The InChIKey is VOOXODPORUUMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-8-11(9-13)15-5-6-19-12-4-2-3-10(7-12)14(16)17/h2-4,7,11,13,15H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid?
3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 114120000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).