4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid

C16H23NO3 — CID 61441620

IUPAC4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid
SMILESCCCCN(CCOc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C16H23NO3/c1-2-3-10-17(14-6-7-14)11-12-20-15-8-4-13(5-9-15)16(18)19/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyGXKKGUYLWPJNAC-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.03
Rot. Bonds9

About 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid

4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid (PubChem CID 61441620) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid
PubChem CID61441620
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid
SMILESCCCCN(CCOc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C16H23NO3/c1-2-3-10-17(14-6-7-14)11-12-20-15-8-4-13(5-9-15)16(18)19/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyGXKKGUYLWPJNAC-UHFFFAOYSA-N
XLogP3.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[2-[methyl(oxan-4-yl)amino]ethoxy]benzoic acid
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N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
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CID 70198065
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid (CID 61441620) is 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid is CCCCN(CCOc1ccc(C(=O)O)cc1)C1CC1.
What is the InChIKey of 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid?
The InChIKey is GXKKGUYLWPJNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-10-17(14-6-7-14)11-12-20-15-8-4-13(5-9-15)16(18)19/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid?
4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 61441620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).