4-methoxy-2-(methylamino)benzoic acid

C9H11NO3 — CID 70479848

IUPAC4-methoxy-2-(methylamino)benzoic acid
SMILESCNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-10-8-5-6(13-2)3-4-7(8)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChIKeyJYHABDVIKUYXFG-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.44
Rot. Bonds3

About 4-methoxy-2-(methylamino)benzoic acid

4-methoxy-2-(methylamino)benzoic acid (PubChem CID 70479848) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-methoxy-2-(methylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(methylamino)benzoic acid
PubChem CID70479848
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-methoxy-2-(methylamino)benzoic acid
SMILESCNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-10-8-5-6(13-2)3-4-7(8)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChIKeyJYHABDVIKUYXFG-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-methoxybenzoic acid
CID 114009470
2-(tert-butylsulfonylamino)-4-methoxybenzoic acid
CID 113303117
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
2-(cyanomethylsulfonylamino)-4-methoxybenzoic acid
CID 115411259
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
4-methoxy-2-(3-methylpentan-2-ylamino)benzoic acid
CID 81304860
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
CID 78920269

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(methylamino)benzoic acid (CID 70479848) is 4-methoxy-2-(methylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(methylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(methylamino)benzoic acid is CNc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 4-methoxy-2-(methylamino)benzoic acid?
The InChIKey is JYHABDVIKUYXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10-8-5-6(13-2)3-4-7(8)9(11)12/h3-5,10H,1-2H3,(H,11,12).
What are the key properties of 4-methoxy-2-(methylamino)benzoic acid?
4-methoxy-2-(methylamino)benzoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methylamino)benzoic acid is sourced from PubChem (CID 70479848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).