3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid

C13H17NO4 — CID 79166366

IUPAC3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
SMILESCN1CCOC(COc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C13H17NO4/c1-14-5-6-17-12(8-14)9-18-11-4-2-3-10(7-11)13(15)16/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,16)
InChIKeyZESKPRZIVUNFBB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.09
Rot. Bonds4

About 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid

3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid (PubChem CID 79166366) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
PubChem CID79166366
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
SMILESCN1CCOC(COc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C13H17NO4/c1-14-5-6-17-12(8-14)9-18-11-4-2-3-10(7-11)13(15)16/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,16)
InChIKeyZESKPRZIVUNFBB-UHFFFAOYSA-N
XLogP1.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79172241
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
3-(morpholin-2-ylmethoxy)benzoic acid
CID 174949498
N-methyl-1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171290
4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 79183075
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79171337
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79171845
3-methoxy-5-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 103567448

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid (CID 79166366) is 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid is CN1CCOC(COc2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid?
The InChIKey is ZESKPRZIVUNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-5-6-17-12(8-14)9-18-11-4-2-3-10(7-11)13(15)16/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid?
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 79166366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).