3-amino-2-(2-methoxyethylamino)benzoic acid

C10H14N2O3 — CID 112577611

IUPAC3-amino-2-(2-methoxyethylamino)benzoic acid
SMILESCOCCNc1c(N)cccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-15-6-5-12-9-7(10(13)14)3-2-4-8(9)11/h2-4,12H,5-6,11H2,1H3,(H,13,14)
InChIKeySOLXDMZXPBCNGK-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-2-(2-methoxyethylamino)benzoic acid

3-amino-2-(2-methoxyethylamino)benzoic acid (PubChem CID 112577611) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyethylamino)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(2-methoxyethylamino)benzoic acid
PubChem CID112577611
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-amino-2-(2-methoxyethylamino)benzoic acid
SMILESCOCCNc1c(N)cccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-15-6-5-12-9-7(10(13)14)3-2-4-8(9)11/h2-4,12H,5-6,11H2,1H3,(H,13,14)
InChIKeySOLXDMZXPBCNGK-UHFFFAOYSA-N
XLogP1.03
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(2-butoxyethylamino)benzoic acid
CID 112578702
3-amino-2-(2-aminoethylamino)benzoic acid
CID 2771662
3-amino-2-[2-(3-methylbutoxy)ethylamino]benzoic acid
CID 112578700
3-amino-2-(3-ethoxypropylamino)benzoic acid
CID 112577884
3-amino-2-(2-methylpropylamino)benzoic acid
CID 112577622
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 167734117
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
2-(4-methoxybutylamino)-3-methylbenzoic acid
CID 107111955
3-amino-2-(2-piperidin-1-ylethylamino)benzoic acid
CID 112578505
3-amino-2-[(2-ethylphenyl)methylamino]benzoic acid
CID 115935137
3-amino-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 115934570

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyethylamino)benzoic acid?
The IUPAC name of 3-amino-2-(2-methoxyethylamino)benzoic acid (CID 112577611) is 3-amino-2-(2-methoxyethylamino)benzoic acid.
What is the SMILES notation for 3-amino-2-(2-methoxyethylamino)benzoic acid?
The canonical SMILES for 3-amino-2-(2-methoxyethylamino)benzoic acid is COCCNc1c(N)cccc1C(=O)O.
What is the InChIKey of 3-amino-2-(2-methoxyethylamino)benzoic acid?
The InChIKey is SOLXDMZXPBCNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-6-5-12-9-7(10(13)14)3-2-4-8(9)11/h2-4,12H,5-6,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(2-methoxyethylamino)benzoic acid?
3-amino-2-(2-methoxyethylamino)benzoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyethylamino)benzoic acid is sourced from PubChem (CID 112577611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).