2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate

C12H17NO5 — CID 113427093

IUPAC2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
SMILESCOCCOCCOC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H17NO5/c1-16-4-5-17-6-7-18-12(15)10-8-9(14)2-3-11(10)13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyMPEVMTBPVNVASW-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.79
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate

2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate (PubChem CID 113427093) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
PubChem CID113427093
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
SMILESCOCCOCCOC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H17NO5/c1-16-4-5-17-6-7-18-12(15)10-8-9(14)2-3-11(10)13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyMPEVMTBPVNVASW-UHFFFAOYSA-N
XLogP0.79
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.79
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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
CID 112548868
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-4-bromobenzoate
CID 104562931
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 58473536
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
CID 61484696
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344
2-methoxyethyl 2-amino-4-bromobenzoate
CID 61303052
2-ethoxyethyl 2-amino-5-iodobenzoate
CID 63111541
tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
cyclopropylmethyl 2-amino-5-hydroxybenzoate
CID 61405748

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate (CID 113427093) is 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate is COCCOCCOC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate?
The InChIKey is MPEVMTBPVNVASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-16-4-5-17-6-7-18-12(15)10-8-9(14)2-3-11(10)13/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate?
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate has a molecular weight of 255.27 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate is sourced from PubChem (CID 113427093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).