5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid

C15H22N2O3 — CID 102745193

IUPAC5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
SMILESCC1(C)CN(c2ccc(N)cc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-14(2)8-17(9-15(3,4)20-14)12-6-5-10(16)7-11(12)13(18)19/h5-7H,8-9,16H2,1-4H3,(H,18,19)
InChIKeyWKEUBFXBLWCEMI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.36
Rot. Bonds2

About 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid

5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid (PubChem CID 102745193) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
PubChem CID102745193
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
SMILESCC1(C)CN(c2ccc(N)cc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-14(2)8-17(9-15(3,4)20-14)12-6-5-10(16)7-11(12)13(18)19/h5-7H,8-9,16H2,1-4H3,(H,18,19)
InChIKeyWKEUBFXBLWCEMI-UHFFFAOYSA-N
XLogP2.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(3,3-dimethoxyazetidin-1-yl)benzoic acid
CID 79688545
5-amino-2-(3-carbamoyl-3-methylpyrrolidin-1-yl)benzoic acid
CID 114082441
5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzonitrile
CID 102742837
5-amino-2-thiomorpholin-4-ylbenzoic acid
CID 12784668
3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742749
3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102745199
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702
5-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694563
2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102742867
2-(3,3-dimethylazetidin-1-yl)-5-fluorobenzoic acid
CID 79686730
5-amino-2-(3-hydroxypyrrolidin-1-yl)benzoic acid
CID 62943071
4-amino-2-(2-azaspiro[3.3]heptan-2-yl)benzoic acid
CID 79688192

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The IUPAC name of 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid (CID 102745193) is 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid is CC1(C)CN(c2ccc(N)cc2C(=O)O)CC(C)(C)O1.
What is the InChIKey of 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The InChIKey is WKEUBFXBLWCEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2)8-17(9-15(3,4)20-14)12-6-5-10(16)7-11(12)13(18)19/h5-7H,8-9,16H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 102745193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).