3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid

C16H21NO4 — CID 136575380

IUPAC3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCN2CCOCC2C2CC2)c1
InChIInChI=1S/C16H21NO4/c18-16(19)13-2-1-3-14(10-13)21-9-7-17-6-8-20-11-15(17)12-4-5-12/h1-3,10,12,15H,4-9,11H2,(H,18,19)
InChIKeyHZFPVINKLZMDFT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds6

About 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid

3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid (PubChem CID 136575380) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid
PubChem CID136575380
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCN2CCOCC2C2CC2)c1
InChIInChI=1S/C16H21NO4/c18-16(19)13-2-1-3-14(10-13)21-9-7-17-6-8-20-11-15(17)12-4-5-12/h1-3,10,12,15H,4-9,11H2,(H,18,19)
InChIKeyHZFPVINKLZMDFT-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid?
The IUPAC name of 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid (CID 136575380) is 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid?
The canonical SMILES for 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid is O=C(O)c1cccc(OCCN2CCOCC2C2CC2)c1.
What is the InChIKey of 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid?
The InChIKey is HZFPVINKLZMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-16(19)13-2-1-3-14(10-13)21-9-7-17-6-8-20-11-15(17)12-4-5-12/h1-3,10,12,15H,4-9,11H2,(H,18,19).
What are the key properties of 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid?
3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid is sourced from PubChem (CID 136575380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).