5-amino-2-(methylamino)benzoic acid

C8H10N2O2 — CID 19006283

IUPAC5-amino-2-(methylamino)benzoic acid
SMILESCNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,9H2,1H3,(H,11,12)
InChIKeyQWFUTQLHWDRKPV-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.01
Rot. Bonds2

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

5-amino-2-(methylamino)benzoic acid (PubChem CID 19006283) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-amino-2-(methylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(methylamino)benzoic acid
PubChem CID19006283
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-amino-2-(methylamino)benzoic acid
SMILESCNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,9H2,1H3,(H,11,12)
InChIKeyQWFUTQLHWDRKPV-UHFFFAOYSA-N
XLogP1.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,N-dimethyl-2-(methylamino)benzamide
CID 71669096
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
5-amino-2-(sulfamoylamino)benzoic acid
CID 114958710
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(pentan-3-ylamino)benzoic acid
CID 60989133
propyl 5-amino-2-(methylamino)benzoate
CID 100637694
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
CID 54888315
5-amino-2-(2-methylsulfanylethylamino)benzoic acid
CID 63961847
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-(7-methyloctylamino)benzoic acid
CID 107817773

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(methylamino)benzoic acid?
The IUPAC name of 5-amino-2-(methylamino)benzoic acid (CID 19006283) is 5-amino-2-(methylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(methylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(methylamino)benzoic acid is CNc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(methylamino)benzoic acid?
The InChIKey is QWFUTQLHWDRKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,9H2,1H3,(H,11,12).
What are the key properties of 5-amino-2-(methylamino)benzoic acid?
5-amino-2-(methylamino)benzoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(methylamino)benzoic acid is sourced from PubChem (CID 19006283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).