5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid

C14H19N3O4 — CID 63116489

IUPAC5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid
SMILESCN(CC(=O)N1CCOCC1)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-16(9-13(18)17-4-6-21-7-5-17)12-3-2-10(15)8-11(12)14(19)20/h2-3,8H,4-7,9,15H2,1H3,(H,19,20)
InChIKeyFOFPGPXMYSJXPL-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.26
Rot. Bonds4

About 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid

5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid (PubChem CID 63116489) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid
PubChem CID63116489
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid
SMILESCN(CC(=O)N1CCOCC1)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-16(9-13(18)17-4-6-21-7-5-17)12-3-2-10(15)8-11(12)14(19)20/h2-3,8H,4-7,9,15H2,1H3,(H,19,20)
InChIKeyFOFPGPXMYSJXPL-UHFFFAOYSA-N
XLogP0.26
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
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CID 63116577
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6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 63773831
5-amino-2-[(3-chloro-4-fluorophenyl)methyl-methylamino]benzoic acid
CID 103038310
5-amino-2-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]benzoic acid
CID 116616299

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid (CID 63116489) is 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid is CN(CC(=O)N1CCOCC1)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid?
The InChIKey is FOFPGPXMYSJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(9-13(18)17-4-6-21-7-5-17)12-3-2-10(15)8-11(12)14(19)20/h2-3,8H,4-7,9,15H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid?
5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid is sourced from PubChem (CID 63116489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).