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

C15H22N2O3 — CID 102745199

IUPAC3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
SMILESCC1(C)CN(c2c(N)cccc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-14(2)8-17(9-15(3,4)20-14)12-10(13(18)19)6-5-7-11(12)16/h5-7H,8-9,16H2,1-4H3,(H,18,19)
InChIKeyIRYDIJWZUVSAKH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.36
Rot. Bonds2

About 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid

3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid (PubChem CID 102745199) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
PubChem CID102745199
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
SMILESCC1(C)CN(c2c(N)cccc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-14(2)8-17(9-15(3,4)20-14)12-10(13(18)19)6-5-7-11(12)16/h5-7H,8-9,16H2,1-4H3,(H,18,19)
InChIKeyIRYDIJWZUVSAKH-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Amino-4-(piperidin-1-yl)benzoic acid
CID 808767
2-(4-Methylpiperazin-1-yl)benzoic acid
CID 1120459
5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid
CID 1941989
3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid
CID 655553
Endophenazine B
CID 9973416
2-(Piperidin-1-yl)benzoic acid
CID 737325
2-(Morpholin-4-yl)benzoic acid
CID 2776561
3-(Morpholin-4-yl)benzoic acid
CID 2795549
2-Amino-5-(pyrrolidin-1-yl)benzoic acid
CID 23366730
2-(2-Morpholin-4-yl-acetylamino)-benzoic acid
CID 1113519
Methyl 5-acetamido-2-morpholin-4-ylbenzoate
CID 6463423
5-Benzamido-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 16033129

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The IUPAC name of 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid (CID 102745199) is 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid is CC1(C)CN(c2c(N)cccc2C(=O)O)CC(C)(C)O1.
What is the InChIKey of 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The InChIKey is IRYDIJWZUVSAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2)8-17(9-15(3,4)20-14)12-10(13(18)19)6-5-7-11(12)16/h5-7H,8-9,16H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
3-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 3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 102745199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).