2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid

C14H20N2O3 — CID 82740828

IUPAC2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
SMILESCc1cc(N(C)C2CCOC2C)cc(C(=O)O)c1N
InChIInChI=1S/C14H20N2O3/c1-8-6-10(7-11(13(8)15)14(17)18)16(3)12-4-5-19-9(12)2/h6-7,9,12H,4-5,15H2,1-3H3,(H,17,18)
InChIKeyDUWGIXIHABHZJJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid

2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid (PubChem CID 82740828) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
PubChem CID82740828
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
SMILESCc1cc(N(C)C2CCOC2C)cc(C(=O)O)c1N
InChIInChI=1S/C14H20N2O3/c1-8-6-10(7-11(13(8)15)14(17)18)16(3)12-4-5-19-9(12)2/h6-7,9,12H,4-5,15H2,1-3H3,(H,17,18)
InChIKeyDUWGIXIHABHZJJ-UHFFFAOYSA-N
XLogP1.89
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]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

5-amino-2-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
CID 82749270
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
CID 82749051
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 114195297
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 82736917
ethyl 2-amino-3-[methyl-(2-methyloxolan-3-yl)amino]benzoate
CID 82747937
3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 82754816
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
5-fluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoic acid
CID 82754922
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
CID 113399934
1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
CID 82739978
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745889
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid?
The IUPAC name of 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid (CID 82740828) is 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid?
The canonical SMILES for 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid is Cc1cc(N(C)C2CCOC2C)cc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid?
The InChIKey is DUWGIXIHABHZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-6-10(7-11(13(8)15)14(17)18)16(3)12-4-5-19-9(12)2/h6-7,9,12H,4-5,15H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid?
2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid is sourced from PubChem (CID 82740828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).