4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid

C14H19NO3 — CID 103255061

IUPAC4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCNCCC2CC2)cc1
InChIInChI=1S/C14H19NO3/c16-14(17)12-3-5-13(6-4-12)18-10-9-15-8-7-11-1-2-11/h3-6,11,15H,1-2,7-10H2,(H,16,17)
InChIKeySTARLQYTXHQAQC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds8

About 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid

4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid (PubChem CID 103255061) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid
PubChem CID103255061
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCNCCC2CC2)cc1
InChIInChI=1S/C14H19NO3/c16-14(17)12-3-5-13(6-4-12)18-10-9-15-8-7-11-1-2-11/h3-6,11,15H,1-2,7-10H2,(H,16,17)
InChIKeySTARLQYTXHQAQC-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
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

4-[2-(butylamino)ethoxy]benzoic acid
CID 103232655
4-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244391
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103239604
4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid
CID 106238465
4-[2-[(3-ethoxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 103245358
4-[2-[(3-methyl-2-propan-2-ylbutyl)amino]ethoxy]benzoic acid
CID 103268744
4-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]ethoxy]benzoic acid
CID 103261463
4-[2-[(2-hydroxy-3-methylbutyl)amino]ethoxy]benzoic acid
CID 103264238
4-[2-[(2-hydroxy-2-methylbutyl)amino]ethoxy]benzoic acid
CID 103253499
2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
CID 103240030
4-[2-[(4-hydroxyoxan-4-yl)methylamino]ethoxy]benzoic acid
CID 103257012
4-[2-[(3-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103237686

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid (CID 103255061) is 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid is O=C(O)c1ccc(OCCNCCC2CC2)cc1.
What is the InChIKey of 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid?
The InChIKey is STARLQYTXHQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)12-3-5-13(6-4-12)18-10-9-15-8-7-11-1-2-11/h3-6,11,15H,1-2,7-10H2,(H,16,17).
What are the key properties of 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid?
4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid is sourced from PubChem (CID 103255061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).