3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid

C15H21NO3 — CID 103264761

IUPAC3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid
SMILESCCC1(NCCOc2cccc(C(=O)O)c2)CCC1
InChIInChI=1S/C15H21NO3/c1-2-15(7-4-8-15)16-9-10-19-13-6-3-5-12(11-13)14(17)18/h3,5-6,11,16H,2,4,7-10H2,1H3,(H,17,18)
InChIKeyLGYVBHHKGWQGMQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.69
Rot. Bonds7

About 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid

3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid (PubChem CID 103264761) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid
PubChem CID103264761
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid
SMILESCCC1(NCCOc2cccc(C(=O)O)c2)CCC1
InChIInChI=1S/C15H21NO3/c1-2-15(7-4-8-15)16-9-10-19-13-6-3-5-12(11-13)14(17)18/h3,5-6,11,16H,2,4,7-10H2,1H3,(H,17,18)
InChIKeyLGYVBHHKGWQGMQ-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(propylamino)ethoxy]benzoic acid
CID 103235092
3-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethoxy]benzoic acid
CID 103260315
3-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethoxy]benzoic acid
CID 103256699
3-[4-(butylamino)butoxy]benzoic acid
CID 71156686
3-[2-[(2-hydroxy-2-methylpentyl)amino]ethoxy]benzoic acid
CID 106294591
3-[2-(2-methylpropylamino)ethoxy]benzoic acid
CID 103231029
3-[2-[[(1S)-1-cyclopentylethyl]amino]ethoxy]benzoic acid
CID 103259942
3-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethoxy]benzoic acid
CID 103263163
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 136550595
3-[2-[(2,6-dimethylpiperidin-1-yl)amino]ethoxy]benzoic acid
CID 103261089
3-[2-(pent-1-yn-3-ylamino)ethoxy]benzoic acid
CID 106231864

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid?
The IUPAC name of 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid (CID 103264761) is 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid is CCC1(NCCOc2cccc(C(=O)O)c2)CCC1.
What is the InChIKey of 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid?
The InChIKey is LGYVBHHKGWQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-15(7-4-8-15)16-9-10-19-13-6-3-5-12(11-13)14(17)18/h3,5-6,11,16H,2,4,7-10H2,1H3,(H,17,18).
What are the key properties of 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid?
3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 103264761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).