2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid

C16H24N2O3 — CID 102742867

IUPAC2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
SMILESCc1cc(N2CC(C)(C)OC(C)(C)C2)cc(C(=O)O)c1N
InChIInChI=1S/C16H24N2O3/c1-10-6-11(7-12(13(10)17)14(19)20)18-8-15(2,3)21-16(4,5)9-18/h6-7H,8-9,17H2,1-5H3,(H,19,20)
InChIKeyIQPSBPNEHGZAOD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.67
Rot. Bonds2

About 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid

2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid (PubChem CID 102742867) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
PubChem CID102742867
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
SMILESCc1cc(N2CC(C)(C)OC(C)(C)C2)cc(C(=O)O)c1N
InChIInChI=1S/C16H24N2O3/c1-10-6-11(7-12(13(10)17)14(19)20)18-8-15(2,3)21-16(4,5)9-18/h6-7H,8-9,17H2,1-5H3,(H,19,20)
InChIKeyIQPSBPNEHGZAOD-UHFFFAOYSA-N
XLogP2.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The IUPAC name of 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid (CID 102742867) is 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid is Cc1cc(N2CC(C)(C)OC(C)(C)C2)cc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
The InChIKey is IQPSBPNEHGZAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-6-11(7-12(13(10)17)14(19)20)18-8-15(2,3)21-16(4,5)9-18/h6-7H,8-9,17H2,1-5H3,(H,19,20).
What are the key properties of 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid?
2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 102742867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).