3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid

C15H22N2O3 — CID 103267262

IUPAC3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
SMILESCCN1CCOC(CNCc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C15H22N2O3/c1-2-17-6-7-20-14(11-17)10-16-9-12-4-3-5-13(8-12)15(18)19/h3-5,8,14,16H,2,6-7,9-11H2,1H3,(H,18,19)
InChIKeyQUXQGXLPVKZMQM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.20
Rot. Bonds6

About 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid

3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid (PubChem CID 103267262) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
PubChem CID103267262
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
SMILESCCN1CCOC(CNCc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C15H22N2O3/c1-2-17-6-7-20-14(11-17)10-16-9-12-4-3-5-13(8-12)15(18)19/h3-5,8,14,16H,2,6-7,9-11H2,1H3,(H,18,19)
InChIKeyQUXQGXLPVKZMQM-UHFFFAOYSA-N
XLogP1.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methoxyphenol
CID 114399658
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
CID 114399789
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
1-(4-ethylmorpholin-2-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 115756743
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
CID 114399817
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid?
The IUPAC name of 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid (CID 103267262) is 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid?
The canonical SMILES for 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid is CCN1CCOC(CNCc2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid?
The InChIKey is QUXQGXLPVKZMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-17-6-7-20-14(11-17)10-16-9-12-4-3-5-13(8-12)15(18)19/h3-5,8,14,16H,2,6-7,9-11H2,1H3,(H,18,19).
What are the key properties of 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid?
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid is sourced from PubChem (CID 103267262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).