3-(2-ethylmorpholin-4-yl)benzoic acid

C13H17NO3 — CID 102822701

IUPAC3-(2-ethylmorpholin-4-yl)benzoic acid
SMILESCCC1CN(c2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C13H17NO3/c1-2-12-9-14(6-7-17-12)11-5-3-4-10(8-11)13(15)16/h3-5,8,12H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyCHVUOWJGYVBMNC-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-ethylmorpholin-4-yl)benzoic acid

3-(2-ethylmorpholin-4-yl)benzoic acid (PubChem CID 102822701) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)benzoic acid
PubChem CID102822701
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(2-ethylmorpholin-4-yl)benzoic acid
SMILESCCC1CN(c2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C13H17NO3/c1-2-12-9-14(6-7-17-12)11-5-3-4-10(8-11)13(15)16/h3-5,8,12H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyCHVUOWJGYVBMNC-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethylmorpholin-4-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
2-ethyl-4-(3-propan-2-ylphenyl)morpholine
CID 20744240
3-(2-ethylmorpholin-4-yl)benzonitrile
CID 102815399
1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone
CID 114068612
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
3-methoxy-N-[2-(4-phenylmorpholin-2-yl)ethyl]benzamide
CID 110709827
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)benzoic acid?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)benzoic acid (CID 102822701) is 3-(2-ethylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)benzoic acid is CCC1CN(c2cccc(C(=O)O)c2)CCO1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)benzoic acid?
The InChIKey is CHVUOWJGYVBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-12-9-14(6-7-17-12)11-5-3-4-10(8-11)13(15)16/h3-5,8,12H,2,6-7,9H2,1H3,(H,15,16).
What are the key properties of 3-(2-ethylmorpholin-4-yl)benzoic acid?
3-(2-ethylmorpholin-4-yl)benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 102822701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).