2-amino-5-(2,3-dimethylbutylamino)benzoic acid

C13H20N2O2 — CID 64598673

IUPAC2-amino-5-(2,3-dimethylbutylamino)benzoic acid
SMILESCC(C)C(C)CNc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)7-15-10-4-5-12(14)11(6-10)13(16)17/h4-6,8-9,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyJXTOZJOGPYCVMV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.67
Rot. Bonds5

About 2-amino-5-(2,3-dimethylbutylamino)benzoic acid

2-amino-5-(2,3-dimethylbutylamino)benzoic acid (PubChem CID 64598673) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-5-(2,3-dimethylbutylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,3-dimethylbutylamino)benzoic acid
PubChem CID64598673
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-5-(2,3-dimethylbutylamino)benzoic acid
SMILESCC(C)C(C)CNc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)7-15-10-4-5-12(14)11(6-10)13(16)17/h4-6,8-9,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyJXTOZJOGPYCVMV-UHFFFAOYSA-N
XLogP2.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-(2,3-dimethylbutylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
4-(2,3-dimethylbutylamino)benzoic acid
CID 64599150
ethyl 2-amino-5-(2-methylpropylamino)benzoate
CID 61312656
ethyl 2-amino-5-(2-methylbutylamino)benzoate
CID 62692505
2-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzoic acid
CID 102906578
2-amino-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzoic acid
CID 60988690
2-amino-5-(4,4,4-trifluorobutylamino)benzoic acid
CID 115521848
1-[2-amino-5-(3-methylbutylamino)phenyl]ethanone
CID 104612208
2-(2,3-dimethylbutylamino)-5-nitrobenzoic acid
CID 64597325
2-amino-4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]benzoic acid
CID 104500875
2-amino-5-[(2-bromophenyl)methylamino]benzoic acid
CID 61413975

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-dimethylbutylamino)benzoic acid?
The IUPAC name of 2-amino-5-(2,3-dimethylbutylamino)benzoic acid (CID 64598673) is 2-amino-5-(2,3-dimethylbutylamino)benzoic acid.
What is the SMILES notation for 2-amino-5-(2,3-dimethylbutylamino)benzoic acid?
The canonical SMILES for 2-amino-5-(2,3-dimethylbutylamino)benzoic acid is CC(C)C(C)CNc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(2,3-dimethylbutylamino)benzoic acid?
The InChIKey is JXTOZJOGPYCVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)9(3)7-15-10-4-5-12(14)11(6-10)13(16)17/h4-6,8-9,15H,7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-5-(2,3-dimethylbutylamino)benzoic acid?
2-amino-5-(2,3-dimethylbutylamino)benzoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dimethylbutylamino)benzoic acid is sourced from PubChem (CID 64598673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).