2-amino-5-(dimethylamino)benzoic acid

C9H12N2O2 — CID 12715794

IUPAC2-amino-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-11(2)6-3-4-8(10)7(5-6)9(12)13/h3-5H,10H2,1-2H3,(H,12,13)
InChIKeyRLGUSSRKLREISB-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.03
Rot. Bonds2

About 2-amino-5-(dimethylamino)benzoic acid

2-amino-5-(dimethylamino)benzoic acid (PubChem CID 12715794) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-5-(dimethylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(dimethylamino)benzoic acid
PubChem CID12715794
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-11(2)6-3-4-8(10)7(5-6)9(12)13/h3-5H,10H2,1-2H3,(H,12,13)
InChIKeyRLGUSSRKLREISB-UHFFFAOYSA-N
XLogP1.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)benzoic acid?
The IUPAC name of 2-amino-5-(dimethylamino)benzoic acid (CID 12715794) is 2-amino-5-(dimethylamino)benzoic acid.
What is the SMILES notation for 2-amino-5-(dimethylamino)benzoic acid?
The canonical SMILES for 2-amino-5-(dimethylamino)benzoic acid is CN(C)c1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(dimethylamino)benzoic acid?
The InChIKey is RLGUSSRKLREISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)6-3-4-8(10)7(5-6)9(12)13/h3-5H,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-5-(dimethylamino)benzoic acid?
2-amino-5-(dimethylamino)benzoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(dimethylamino)benzoic acid is sourced from PubChem (CID 12715794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).