2-(2,2-dimethylmorpholin-4-yl)benzoic acid

C13H17NO3 — CID 43592982

IUPAC2-(2,2-dimethylmorpholin-4-yl)benzoic acid
SMILESCC1(C)CN(c2ccccc2C(=O)O)CCO1
InChIInChI=1S/C13H17NO3/c1-13(2)9-14(7-8-17-13)11-6-4-3-5-10(11)12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyTXKAHICWZTYERX-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.00
Rot. Bonds2

About 2-(2,2-dimethylmorpholin-4-yl)benzoic acid

2-(2,2-dimethylmorpholin-4-yl)benzoic acid (PubChem CID 43592982) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)benzoic acid
PubChem CID43592982
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)benzoic acid
SMILESCC1(C)CN(c2ccccc2C(=O)O)CCO1
InChIInChI=1S/C13H17NO3/c1-13(2)9-14(7-8-17-13)11-6-4-3-5-10(11)12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyTXKAHICWZTYERX-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

2,2-dimethyl-4-phenylmorpholine
CID 15576765
(1R)-1-[2-(2,2-dimethylmorpholin-4-yl)phenyl]ethanol
CID 78939823
1-[2-(2,2-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 43592908
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone
CID 63610409
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 62239023
2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline
CID 104834174
2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline
CID 60790067
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
2-(2,2-dimethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43592967
2-chloro-6-(2,2-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 62503139
2-(2,2-dimethylmorpholin-4-yl)-6-fluorobenzenecarbothioamide
CID 79513878

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)benzoic acid?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)benzoic acid (CID 43592982) is 2-(2,2-dimethylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)benzoic acid is CC1(C)CN(c2ccccc2C(=O)O)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)benzoic acid?
The InChIKey is TXKAHICWZTYERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)9-14(7-8-17-13)11-6-4-3-5-10(11)12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)benzoic acid?
2-(2,2-dimethylmorpholin-4-yl)benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 43592982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).