3-(morpholin-2-ylmethoxy)benzoic acid

C12H15NO4 — CID 174949498

IUPAC3-(morpholin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCC2CNCCO2)c1
InChIInChI=1S/C12H15NO4/c14-12(15)9-2-1-3-10(6-9)17-8-11-7-13-4-5-16-11/h1-3,6,11,13H,4-5,7-8H2,(H,14,15)
InChIKeyAPTAINMMUQGXQQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.75
Rot. Bonds4

About 3-(morpholin-2-ylmethoxy)benzoic acid

3-(morpholin-2-ylmethoxy)benzoic acid (PubChem CID 174949498) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(morpholin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-(morpholin-2-ylmethoxy)benzoic acid
PubChem CID174949498
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-(morpholin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCC2CNCCO2)c1
InChIInChI=1S/C12H15NO4/c14-12(15)9-2-1-3-10(6-9)17-8-11-7-13-4-5-16-11/h1-3,6,11,13H,4-5,7-8H2,(H,14,15)
InChIKeyAPTAINMMUQGXQQ-UHFFFAOYSA-N
XLogP0.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124571660
4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 114469202
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
N-methyl-4-(morpholin-2-ylmethoxy)pyridine-2-carboxamide
CID 114468972
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
CID 170342980
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
1,4-diazepan-1-yl-[3-(oxolan-2-ylmethoxy)phenyl]methanone;hydrochloride
CID 119414799

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-2-ylmethoxy)benzoic acid?
The IUPAC name of 3-(morpholin-2-ylmethoxy)benzoic acid (CID 174949498) is 3-(morpholin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-(morpholin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 3-(morpholin-2-ylmethoxy)benzoic acid is O=C(O)c1cccc(OCC2CNCCO2)c1.
What is the InChIKey of 3-(morpholin-2-ylmethoxy)benzoic acid?
The InChIKey is APTAINMMUQGXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-12(15)9-2-1-3-10(6-9)17-8-11-7-13-4-5-16-11/h1-3,6,11,13H,4-5,7-8H2,(H,14,15).
What are the key properties of 3-(morpholin-2-ylmethoxy)benzoic acid?
3-(morpholin-2-ylmethoxy)benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 174949498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).