2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid

C14H23N3O2 — CID 60988690

IUPAC2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid
SMILESCN(C)CC(C)(C)CNc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,9-17(3)4)8-16-10-5-6-12(15)11(7-10)13(18)19/h5-7,16H,8-9,15H2,1-4H3,(H,18,19)
InChIKeyMJQBCLNIBUZBQS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.97
Rot. Bonds6

About 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid

2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid (PubChem CID 60988690) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid
PubChem CID60988690
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid
SMILESCN(C)CC(C)(C)CNc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,9-17(3)4)8-16-10-5-6-12(15)11(7-10)13(18)19/h5-7,16H,8-9,15H2,1-4H3,(H,18,19)
InChIKeyMJQBCLNIBUZBQS-UHFFFAOYSA-N
XLogP1.97
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
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-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid?
The IUPAC name of 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid (CID 60988690) is 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid.
What is the SMILES notation for 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid?
The canonical SMILES for 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid is CN(C)CC(C)(C)CNc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid?
The InChIKey is MJQBCLNIBUZBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,9-17(3)4)8-16-10-5-6-12(15)11(7-10)13(18)19/h5-7,16H,8-9,15H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid?
2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid is sourced from PubChem (CID 60988690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).