2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate

C14H21NO4 — CID 112588565

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCCOC(C)(C)C
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-8-7-18-13(16)11-9-10(15)5-6-12(11)17-4/h5-6,9H,7-8,15H2,1-4H3
InChIKeyPHNONOWIGNPQBL-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.25
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate

2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate (PubChem CID 112588565) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
PubChem CID112588565
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCCOC(C)(C)C
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-8-7-18-13(16)11-9-10(15)5-6-12(11)17-4/h5-6,9H,7-8,15H2,1-4H3
InChIKeyPHNONOWIGNPQBL-UHFFFAOYSA-N
XLogP2.25
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 5-amino-2-methoxybenzoate
CID 22180184
nonyl 5-amino-2-methoxybenzoate
CID 63450276
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-4-methoxybenzoate
CID 112686980
2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate
CID 103013489
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
(5-methyl-3-pyridinyl)methyl 5-amino-2-methoxybenzoate
CID 102878333
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-4,5-difluorobenzoate
CID 112688666
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate (CID 112588565) is 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate is COc1ccc(N)cc1C(=O)OCCOC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate?
The InChIKey is PHNONOWIGNPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-8-7-18-13(16)11-9-10(15)5-6-12(11)17-4/h5-6,9H,7-8,15H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate?
2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate has a molecular weight of 267.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate is sourced from PubChem (CID 112588565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).