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

C10H15N3O3 — CID 142893824

IUPAC3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid
SMILESCOCCN(N)c1ccc(C(=O)O)cc1N
InChIInChI=1S/C10H15N3O3/c1-16-5-4-13(12)9-3-2-7(10(14)15)6-8(9)11/h2-3,6H,4-5,11-12H2,1H3,(H,14,15)
InChIKeyLGXOKYBATCUOND-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.29
Rot. Bonds5

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

3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid (PubChem CID 142893824) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid
PubChem CID142893824
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid
SMILESCOCCN(N)c1ccc(C(=O)O)cc1N
InChIInChI=1S/C10H15N3O3/c1-16-5-4-13(12)9-3-2-7(10(14)15)6-8(9)11/h2-3,6H,4-5,11-12H2,1H3,(H,14,15)
InChIKeyLGXOKYBATCUOND-UHFFFAOYSA-N
XLogP0.29
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
3-amino-4-[ethyl-(2-methoxyacetyl)amino]benzoic acid
CID 63118979
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 82785491
3-amino-4-[ethyl(methyl)amino]benzoic acid
CID 60990166
3-amino-4-(dibutylamino)benzoic acid
CID 22096622
3-amino-4-[methyl(3-methylsulfonylpropyl)amino]benzoic acid
CID 63191426
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-4-[2-hydroxyethyl(propan-2-yl)amino]benzoic acid
CID 54994936
3-amino-4-[(2-methoxy-2-methylpropanoyl)-methylamino]benzoic acid
CID 103017875
3-amino-4-[bis(2-amino-2-oxoethyl)amino]benzoic acid
CID 55154919

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid?
The IUPAC name of 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid (CID 142893824) is 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid.
What is the SMILES notation for 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid?
The canonical SMILES for 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid is COCCN(N)c1ccc(C(=O)O)cc1N.
What is the InChIKey of 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid?
The InChIKey is LGXOKYBATCUOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-5-4-13(12)9-3-2-7(10(14)15)6-8(9)11/h2-3,6H,4-5,11-12H2,1H3,(H,14,15).
What are the key properties of 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid?
3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid is sourced from PubChem (CID 142893824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).