2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid

C14H21NO6 — CID 104564090

IUPAC2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
SMILESCOCCOCCOCCOc1cccc(C(=O)O)c1N
InChIInChI=1S/C14H21NO6/c1-18-5-6-19-7-8-20-9-10-21-12-4-2-3-11(13(12)15)14(16)17/h2-4H,5-10,15H2,1H3,(H,16,17)
InChIKeyGLPVSJFFHGBTCL-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.03
Rot. Bonds11

About 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid

2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid (PubChem CID 104564090) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
PubChem CID104564090
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
SMILESCOCCOCCOCCOc1cccc(C(=O)O)c1N
InChIInChI=1S/C14H21NO6/c1-18-5-6-19-7-8-20-9-10-21-12-4-2-3-11(13(12)15)14(16)17/h2-4H,5-10,15H2,1H3,(H,16,17)
InChIKeyGLPVSJFFHGBTCL-UHFFFAOYSA-N
XLogP1.03
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
2-amino-3-butoxybenzoic acid
CID 61039870
2-amino-3-(3,3-dimethylbutoxy)benzoic acid
CID 115547343
2-amino-3-octoxybenzoic acid
CID 113333300
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
methyl 2-amino-3-(2-ethoxyethoxy)benzoate
CID 115546997
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
3-(2-methoxyethoxy)-2-nitrobenzoic acid
CID 69405433
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 43291229

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid?
The IUPAC name of 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid (CID 104564090) is 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid.
What is the SMILES notation for 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid?
The canonical SMILES for 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid is COCCOCCOCCOc1cccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid?
The InChIKey is GLPVSJFFHGBTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO6/c1-18-5-6-19-7-8-20-9-10-21-12-4-2-3-11(13(12)15)14(16)17/h2-4H,5-10,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid?
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid has a molecular weight of 299.32 g/mol, XLogP of 1.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid is sourced from PubChem (CID 104564090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).