5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid

C11H15N3O3 — CID 54888315

IUPAC5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
SMILESCN(C)C(=O)CNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-14(2)10(15)6-13-9-4-3-7(12)5-8(9)11(16)17/h3-5,13H,6,12H2,1-2H3,(H,16,17)
InChIKeyRUHOCRYOXIMWDV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.47
Rot. Bonds4

About 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid

5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid (PubChem CID 54888315) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
PubChem CID54888315
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
SMILESCN(C)C(=O)CNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-14(2)10(15)6-13-9-4-3-7(12)5-8(9)11(16)17/h3-5,13H,6,12H2,1-2H3,(H,16,17)
InChIKeyRUHOCRYOXIMWDV-UHFFFAOYSA-N
XLogP0.47
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]amino]-5-nitrobenzoic acid
CID 43214510
2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
CID 61296173
5-amino-2-(methylamino)benzoic acid
CID 19006283
5-amino-2-(2-methylsulfanylethylamino)benzoic acid
CID 63961847
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]benzoic acid
CID 63116577
5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
CID 83203951
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
2-(2-aminoanilino)-N,N-dimethylacetamide
CID 43310935
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid?
The IUPAC name of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid (CID 54888315) is 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid?
The canonical SMILES for 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid is CN(C)C(=O)CNc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid?
The InChIKey is RUHOCRYOXIMWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14(2)10(15)6-13-9-4-3-7(12)5-8(9)11(16)17/h3-5,13H,6,12H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid?
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid is sourced from PubChem (CID 54888315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).