4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid

C14H22N2O4 — CID 82785491

IUPAC4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
SMILESCOCCN(c1cc(C(=O)O)ccc1N)C(C)COC
InChIInChI=1S/C14H22N2O4/c1-10(9-20-3)16(6-7-19-2)13-8-11(14(17)18)4-5-12(13)15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyYJXSPAOFMPOGRY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.45
Rot. Bonds8

About 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid

4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid (PubChem CID 82785491) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
PubChem CID82785491
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
SMILESCOCCN(c1cc(C(=O)O)ccc1N)C(C)COC
InChIInChI=1S/C14H22N2O4/c1-10(9-20-3)16(6-7-19-2)13-8-11(14(17)18)4-5-12(13)15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyYJXSPAOFMPOGRY-UHFFFAOYSA-N
XLogP1.45
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
methyl 4-amino-3-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 82785013
4-amino-3-[butan-2-yl(ethyl)amino]benzoic acid
CID 82785049
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid
CID 142893824
3-fluoro-4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63075070
4-amino-3-(dipropylamino)benzoic acid
CID 82791278
4-amino-3-[bis(3-methylbutyl)amino]benzoic acid
CID 107870735
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 81471352
1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
CID 115994582

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The IUPAC name of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid (CID 82785491) is 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The canonical SMILES for 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid is COCCN(c1cc(C(=O)O)ccc1N)C(C)COC.
What is the InChIKey of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The InChIKey is YJXSPAOFMPOGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(9-20-3)16(6-7-19-2)13-8-11(14(17)18)4-5-12(13)15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid is sourced from PubChem (CID 82785491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).