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

C10H14N2O3 — CID 60988686

IUPAC5-amino-2-(2-methoxyethylamino)benzoic acid
SMILESCOCCNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-15-5-4-12-9-3-2-7(11)6-8(9)10(13)14/h2-3,6,12H,4-5,11H2,1H3,(H,13,14)
InChIKeyZTRYBSNEARYRTP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.03
Rot. Bonds5

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

5-amino-2-(2-methoxyethylamino)benzoic acid (PubChem CID 60988686) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-amino-2-(2-methoxyethylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(2-methoxyethylamino)benzoic acid
PubChem CID60988686
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-amino-2-(2-methoxyethylamino)benzoic acid
SMILESCOCCNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-15-5-4-12-9-3-2-7(11)6-8(9)10(13)14/h2-3,6,12H,4-5,11H2,1H3,(H,13,14)
InChIKeyZTRYBSNEARYRTP-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

5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
CID 83203951
5-amino-2-(2-methylsulfanylethylamino)benzoic acid
CID 63961847
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735
methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate
CID 83203952
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984056
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
5-amino-2-(7-methyloctylamino)benzoic acid
CID 107817773

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methoxyethylamino)benzoic acid?
The IUPAC name of 5-amino-2-(2-methoxyethylamino)benzoic acid (CID 60988686) is 5-amino-2-(2-methoxyethylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(2-methoxyethylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(2-methoxyethylamino)benzoic acid is COCCNc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(2-methoxyethylamino)benzoic acid?
The InChIKey is ZTRYBSNEARYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-5-4-12-9-3-2-7(11)6-8(9)10(13)14/h2-3,6,12H,4-5,11H2,1H3,(H,13,14).
What are the key properties of 5-amino-2-(2-methoxyethylamino)benzoic acid?
5-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 5-amino-2-(2-methoxyethylamino)benzoic acid is sourced from PubChem (CID 60988686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).